http://showme.physics.drexel.edu/onsc/Services/OData.svc/Solubilities/ 2012-05-16T19:28:46Z O=C(O)CCCCCCCCCCC.BrCCC 2012-05-16T19:28:46Z 1 lauric acid O=C(O)CCCCCCCCCCC 1-bromopropane BrCCC 2.519 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lauric+acid&solvent=1-bromopropane [O-][N+](=O)c2cccc1ccccc12.CCCCO 2012-05-16T19:28:46Z 2 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 1-butanol CCCCO 0.373 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=1-butanol n1cnnc1.CCCCO 2012-05-16T19:28:46Z 3 1,2,4-triazole n1cnnc1 1-butanol CCCCO 2.380 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,4-triazole&solvent=1-butanol O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.OCCCC 2012-05-16T19:28:46Z 4 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O 1-butanol OCCCC 0.780 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=1-butanol O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.CCCCO 2012-05-16T19:28:46Z 5 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC 1-butanol CCCCO 0.048 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=1-butanol O=C(O)c1ccccc1OC.OCCCC 2012-05-16T19:28:46Z 6 2-methoxybenzoic acid O=C(O)c1ccccc1OC 1-butanol OCCCC 0.570 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=1-butanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.CCCCO 2012-05-16T19:28:46Z 7 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 1-butanol CCCCO 0.164 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=1-butanol n2c1ccccc1nc2C.CCCCO 2012-05-16T19:28:46Z 8 2-methylbenzimidazole n2c1ccccc1nc2C 1-butanol CCCCO 1.579 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzimidazole&solvent=1-butanol O=C(O)c1ccccc1C.OCCCC 2012-05-16T19:28:46Z 9 2-methylbenzoic acid O=C(O)c1ccccc1C 1-butanol OCCCC 1.610 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=1-butanol O=C(O)c1cc(Cl)ccc1.CCCCO 2012-05-16T19:28:46Z 10 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 1-butanol CCCCO 0.984 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=1-butanol O=C(O)c1cc(ccc1)C.CCCCO 2012-05-16T19:28:46Z 11 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 1-butanol CCCCO 1.658 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=1-butanol [O-][N+](=O)C1=N\C(=O)\N=N1.CCCCO 2012-05-16T19:28:46Z 12 3-nitro-1,2,4-triazol-5-one [O-][N+](=O)C1=N\C(=O)\N=N1 1-butanol CCCCO 0.039 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitro-1,2,4-triazol-5-one&solvent=1-butanol O=[N+]([O-])c1cc(C(=O)O)ccc1.CCCCO 2012-05-16T19:28:46Z 13 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 1-butanol CCCCO 1.534 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=1-butanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.CCCCO 2012-05-16T19:28:46Z 14 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 1-butanol CCCCO 0.340 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=1-butanol O=C(O)c1ccc(N)cc1.CCCCO 2012-05-16T19:28:46Z 15 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 1-butanol CCCCO 0.339 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=1-butanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OCCCC 2012-05-16T19:28:46Z 16 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 1-butanol OCCCC 0.310 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=1-butanol O=C(O)c1ccc(Cl)cc1.CCCCO 2012-05-16T19:28:46Z 17 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 1-butanol CCCCO 0.146 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=1-butanol O=C(O)c1ccc(O)cc1.CCCCO 2012-05-16T19:28:46Z 18 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 1-butanol CCCCO 1.249 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=1-butanol COc1ccc(cc1)C(O)=O.OCCCC 2012-05-16T19:28:46Z 19 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 1-butanol OCCCC 0.120 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=1-butanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OCCCC 2012-05-16T19:28:46Z 20 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 1-butanol OCCCC 0.090 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=1-butanol c1c[n+](ccc1[N+](=O)[O-])[O-].CCCCO 2012-05-16T19:28:46Z 21 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 1-butanol CCCCO 0.031 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=1-butanol O=C3c1ccccc1c2c3cccc2.OCCCC 2012-05-16T19:28:46Z 22 9-fluorenone O=C3c1ccccc1c2c3cccc2 1-butanol OCCCC 0.370 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=1-butanol c1cc2cccc3c2c(c1)CC3.CCCCO 2012-05-16T19:28:46Z 23 acenaphthene c1cc2cccc3c2c(c1)CC3 1-butanol CCCCO 0.255 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=1-butanol O=C(Nc1ccc(O)cc1)C.CCCCO 2012-05-16T19:28:46Z 24 acetaminophen O=C(Nc1ccc(O)cc1)C 1-butanol CCCCO 0.472 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=1-butanol O=C(Oc1ccccc1C(=O)O)C.CCCCO 2012-05-16T19:28:46Z 25 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 1-butanol CCCCO 0.485 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=1-butanol C(CCC(=O)O)CC(=O)O.CCCCO 2012-05-16T19:28:46Z 26 adipic acid C(CCC(=O)O)CC(=O)O 1-butanol CCCCO 0.286 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adipic+acid&solvent=1-butanol c1ccc2cc3ccccc3cc2c1.CCCCO 2012-05-16T19:28:46Z 27 anthracene c1ccc2cc3ccccc3cc2c1 1-butanol CCCCO 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=1-butanol O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C.CCCCO 2012-05-16T19:28:46Z 28 artemisinin O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C 1-butanol CCCCO 0.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=artemisinin&solvent=1-butanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.CCCCO 2012-05-16T19:28:46Z 29 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 1-butanol CCCCO 0.141 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=1-butanol c1ccc2c(c1)[nH]cn2.CCCCO 2012-05-16T19:28:46Z 30 benzimidazole c1ccc2c(c1)[nH]cn2 1-butanol CCCCO 1.171 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=1-butanol O=C(O)c1ccccc1.CCCCO 2012-05-16T19:28:46Z 31 benzoic acid O=C(O)c1ccccc1 1-butanol CCCCO 2.150 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=1-butanol c1ccc(cc1)C(C(=O)c2ccccc2)O.CCCCO 2012-05-16T19:28:46Z 32 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 1-butanol CCCCO 0.026 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=1-butanol O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5.CCCCO 2012-05-16T19:28:46Z 33 betulinic acid O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5 1-butanol CCCCO 0.021 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=betulinic+acid&solvent=1-butanol c1ccc(cc1)c2ccccc2.CCCCO 2012-05-16T19:28:46Z 34 biphenyl c1ccc(cc1)c2ccccc2 1-butanol CCCCO 0.605 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=1-butanol c1cccc2oc(nc12)CSCc3nc4ccccc4o3.CCCCO 2012-05-16T19:28:46Z 35 bis(benzoxazolyl-2-methyl)sulfide c1cccc2oc(nc12)CSCc3nc4ccccc4o3 1-butanol CCCCO 0.151 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=bis(benzoxazolyl-2-methyl)sulfide&solvent=1-butanol O=C(OCCCC)c1ccc(O)cc1.CCCCO 2012-05-16T19:28:46Z 36 butylparaben O=C(OCCCC)c1ccc(O)cc1 1-butanol CCCCO 2.977 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butylparaben&solvent=1-butanol O=C1NCCCCC1.CCCCO 2012-05-16T19:28:46Z 37 caprolactam O=C1NCCCCC1 1-butanol CCCCO 2.615 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caprolactam&solvent=1-butanol c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N.CCCCO 2012-05-16T19:28:46Z 38 carbamazepine c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N 1-butanol CCCCO 0.061 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbamazepine&solvent=1-butanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.CCCCO 2012-05-16T19:28:46Z 39 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 1-butanol CCCCO 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=1-butanol C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C.CCCCO 2012-05-16T19:28:46Z 40 cholesterol C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C 1-butanol CCCCO 0.157 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cholesterol&solvent=1-butanol O=C(O)C=Cc1ccccc1.CCCCO 2012-05-16T19:28:46Z 41 cinnamic acid O=C(O)C=Cc1ccccc1 1-butanol CCCCO 0.728 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=1-butanol O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.CCCCO 2012-05-16T19:28:46Z 42 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 1-butanol CCCCO 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=1-butanol c1ccc(cc1)OC(=O)Oc2ccccc2.CCCCO 2012-05-16T19:28:46Z 43 diphenyl carbonate c1ccc(cc1)OC(=O)Oc2ccccc2 1-butanol CCCCO 0.166 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+carbonate&solvent=1-butanol O=S(=O)(c1ccccc1)c2ccccc2.CCCCO 2012-05-16T19:28:46Z 44 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 1-butanol CCCCO 0.057 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=1-butanol Clc1ccc(NC(=O)N(C)C)cc1Cl.CCCCO 2012-05-16T19:28:46Z 45 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 1-butanol CCCCO 0.129 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=1-butanol c1c(c(cc(c1C)C)C)C.CCCCO 2012-05-16T19:28:46Z 46 durene c1c(c(cc(c1C)C)C)C 1-butanol CCCCO 0.563 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=1-butanol O=C(OCC)c1ccc(O)cc1.CCCCO 2012-05-16T19:28:46Z 47 ethylparaben O=C(OCC)c1ccc(O)cc1 1-butanol CCCCO 1.763 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethylparaben&solvent=1-butanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.CCCCO 2012-05-16T19:28:46Z 48 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 1-butanol CCCCO 0.107 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=1-butanol c1ccc-2c(c1)Cc3c2cccc3.CCCCO 2012-05-16T19:28:46Z 49 fluorene c1ccc-2c(c1)Cc3c2cccc3 1-butanol CCCCO 0.181 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=1-butanol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.CCCCO 2012-05-16T19:28:46Z 50 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F 1-butanol CCCCO 0.083 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=1-butanol O=C2c3c(O[C@H](c1ccc(OC)c(O)c1)C2)cc(O)cc3O.CCCCO 2012-05-16T19:28:46Z 51 hesperetin O=C2c3c(O[C@H](c1ccc(OC)c(O)c1)C2)cc(O)cc3O 1-butanol CCCCO 0.037 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hesperetin&solvent=1-butanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.CCCCO 2012-05-16T19:28:46Z 52 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 1-butanol CCCCO 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=1-butanol O=C(O)c1cccc(C(=O)O)c1.CCCCO 2012-05-16T19:28:46Z 53 isophthalic acid O=C(O)c1cccc(C(=O)O)c1 1-butanol CCCCO 0.034 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isophthalic+acid&solvent=1-butanol CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.CCCCO 2012-05-16T19:28:46Z 54 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O 1-butanol CCCCO 0.847 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=1-butanol O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cc(O)cc3O.CCCCO 2012-05-16T19:28:46Z 55 luteolin O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cc(O)cc3O 1-butanol CCCCO 0.019 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=luteolin&solvent=1-butanol O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.CCCCO 2012-05-16T19:28:46Z 56 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C 1-butanol CCCCO 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=1-butanol COC(=O)c1ccc(cc1)O.CCCCO 2012-05-16T19:28:46Z 57 methylparaben COC(=O)c1ccc(cc1)O 1-butanol CCCCO 1.518 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=1-butanol N\C1=C\C(=N/C(=N)N1O)N2CCCCC2.CCCCO 2012-05-16T19:28:46Z 58 minoxidil N\C1=C\C(=N/C(=N)N1O)N2CCCCC2 1-butanol CCCCO 0.070 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=minoxidil&solvent=1-butanol Clc1ccc(NC(=O)N(C)C)cc1.CCCCO 2012-05-16T19:28:46Z 59 monuron Clc1ccc(NC(=O)N(C)C)cc1 1-butanol CCCCO 0.148 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=1-butanol O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.CCCCO 2012-05-16T19:28:46Z 60 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C 1-butanol CCCCO 0.152 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=1-butanol O=S(=O)(c1ccc(N)cc1)N.CCCCO 2012-05-16T19:28:46Z 61 p-aminobenzenesulfonamide O=S(=O)(c1ccc(N)cc1)N 1-butanol CCCCO 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-aminobenzenesulfonamide&solvent=1-butanol CCCCCCCCCCCCCCCC(=O)O.CCCCO 2012-05-16T19:28:46Z 62 palmitic acid CCCCCCCCCCCCCCCC(=O)O 1-butanol CCCCO 0.600 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=palmitic+acid&solvent=1-butanol O=C(Nc1ccc(OCC)cc1)C.CCCCO 2012-05-16T19:28:46Z 63 phenacetin O=C(Nc1ccc(OCC)cc1)C 1-butanol CCCCO 0.307 Non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=1-butanol c3cc2ccc1ccccc1c2cc3.CCCCO 2012-05-16T19:28:46Z 64 phenanthrene c3cc2ccc1ccccc1c2cc3 1-butanol CCCCO 0.192 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=1-butanol c1ccc2c(c1)Nc3ccccc3S2.CCCCO 2012-05-16T19:28:46Z 65 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 1-butanol CCCCO 0.118 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=1-butanol O=C(Oc1ccccc1)c2ccccc2O.CCCCO 2012-05-16T19:28:46Z 66 phenyl salicylate O=C(Oc1ccccc1)c2ccccc2O 1-butanol CCCCO 1.708 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenyl+salicylate&solvent=1-butanol O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2.CCCCO 2012-05-16T19:28:46Z 67 phloretin O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2 1-butanol CCCCO 0.366 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phloretin&solvent=1-butanol Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5.CCCCO 2012-05-16T19:28:46Z 68 pimozide Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5 1-butanol CCCCO 0.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimozide&solvent=1-butanol COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4.CCCCO 2012-05-16T19:28:46Z 69 podophyllotoxin COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4 1-butanol CCCCO 0.059 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=podophyllotoxin&solvent=1-butanol O=C(OCCC)c1ccc(O)cc1.CCCCO 2012-05-16T19:28:46Z 70 propylparaben O=C(OCCC)c1ccc(O)cc1 1-butanol CCCCO 1.940 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=propylparaben&solvent=1-butanol c1cc2ccc3cccc4c3c2c(c1)cc4.CCCCO 2012-05-16T19:28:46Z 71 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 1-butanol CCCCO 0.067 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=1-butanol C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O.CCCCO 2012-05-16T19:28:46Z 72 rutin C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O 1-butanol CCCCO 0.037 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=rutin&solvent=1-butanol O=C(c1ccccc1O)N.CCCCO 2012-05-16T19:28:46Z 73 salicylamide O=C(c1ccccc1O)N 1-butanol CCCCO 0.329 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=1-butanol O=C(O)c1ccccc1O.CCCCO 2012-05-16T19:28:46Z 74 salicylic acid O=C(O)c1ccccc1O 1-butanol CCCCO 1.761 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=1-butanol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CCCCO 2012-05-16T19:28:46Z 75 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 1-butanol CCCCO 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=1-butanol S1c3c(Sc2c1cccc2)cccc3.CCCCO 2012-05-16T19:28:46Z 76 thianthrene S1c3c(Sc2c1cccc2)cccc3 1-butanol CCCCO 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=1-butanol O=C1c3c(Sc2c1cccc2)cccc3.CCCCO 2012-05-16T19:28:46Z 77 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 1-butanol CCCCO 0.012 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=1-butanol C(=S)(N)N.CCCCO 2012-05-16T19:28:46Z 78 thiourea C(=S)(N)N 1-butanol CCCCO 0.144 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiourea&solvent=1-butanol c1ccc(cc1)/C=C/c2ccccc2.CCCCO 2012-05-16T19:28:46Z 79 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 1-butanol CCCCO 0.058 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=1-butanol O2c1ccccc1Cc3c2cccc3.OCCCC 2012-05-16T19:28:46Z 80 xanthene O2c1ccccc1Cc3c2cccc3 1-butanol OCCCC 0.190 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=1-butanol O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.ClCCCC 2012-05-16T19:28:46Z 81 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC 1-chlorobutane ClCCCC 0.352 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=1-chlorobutane n2c1ccccc1nc2C.ClCCCC 2012-05-16T19:28:46Z 82 2-methylbenzimidazole n2c1ccccc1nc2C 1-chlorobutane ClCCCC 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzimidazole&solvent=1-chlorobutane c1c[n+](ccc1[N+](=O)[O-])[O-].ClCCCC 2012-05-16T19:28:46Z 83 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 1-chlorobutane ClCCCC 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=1-chlorobutane c1ccc2cc3ccccc3cc2c1.ClCCCC 2012-05-16T19:28:46Z 84 anthracene c1ccc2cc3ccccc3cc2c1 1-chlorobutane ClCCCC 0.055 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=1-chlorobutane c1ccc2c(c1)[nH]cn2.ClCCCC 2012-05-16T19:28:46Z 85 benzimidazole c1ccc2c(c1)[nH]cn2 1-chlorobutane ClCCCC 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=1-chlorobutane O=C2c1ccccc1C(=O)c3c2cccc3Cl.ClCCCC 2012-05-16T19:28:46Z 86 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 1-chlorobutane ClCCCC 0.037 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=1-chlorobutane O=S(=O)(c1ccccc1)c2ccccc2.ClCCCC 2012-05-16T19:28:46Z 87 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 1-chlorobutane ClCCCC 0.210 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=1-chlorobutane Clc1ccc(NC(=O)N(C)C)cc1Cl.ClCCCC 2012-05-16T19:28:46Z 88 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 1-chlorobutane ClCCCC 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=1-chlorobutane c1ccc-2c(c1)-c3cccc4c3c2ccc4.ClCCCC 2012-05-16T19:28:46Z 89 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 1-chlorobutane ClCCCC 1.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=1-chlorobutane c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.ClCCCC 2012-05-16T19:28:46Z 90 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 1-chlorobutane ClCCCC 0.036 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=1-chlorobutane c1cc2ccc3cccc4c3c2c(c1)cc4.ClCCCC 2012-05-16T19:28:46Z 91 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 1-chlorobutane ClCCCC 0.560 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=1-chlorobutane O=C1c3c(Sc2c1cccc2)cccc3.ClCCCC 2012-05-16T19:28:46Z 92 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 1-chlorobutane ClCCCC 0.029 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=1-chlorobutane c1ccc2cc3ccccc3cc2c1.ClCCCCCC 2012-05-16T19:28:46Z 93 anthracene c1ccc2cc3ccccc3cc2c1 1-chlorohexane ClCCCCCC 0.052 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=1-chlorohexane c1ccc-2c(c1)-c3cccc4c3c2ccc4.ClCCCCCC 2012-05-16T19:28:46Z 94 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 1-chlorohexane ClCCCCCC 0.531 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=1-chlorohexane c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.ClCCCCCC 2012-05-16T19:28:46Z 95 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 1-chlorohexane ClCCCCCC 0.037 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=1-chlorohexane c1cc2ccc3cccc4c3c2c(c1)cc4.ClCCCCCC 2012-05-16T19:28:46Z 96 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 1-chlorohexane ClCCCCCC 0.076 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=1-chlorohexane c1ccc2cc3ccccc3cc2c1.ClCCCCCCCC 2012-05-16T19:28:46Z 97 anthracene c1ccc2cc3ccccc3cc2c1 1-chlorooctane ClCCCCCCCC 0.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=1-chlorooctane c1ccc2c(c1)c3ccccc3[nH]2.ClCCCCCCCC 2012-05-16T19:28:46Z 98 carbazole c1ccc2c(c1)c3ccccc3[nH]2 1-chlorooctane ClCCCCCCCC 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbazole&solvent=1-chlorooctane O=S(=O)(c1ccccc1)c2ccccc2.ClCCCCCCCC 2012-05-16T19:28:46Z 99 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 1-chlorooctane ClCCCCCCCC 0.069 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=1-chlorooctane Clc1ccc(NC(=O)N(C)C)cc1Cl.ClCCCCCCCC 2012-05-16T19:28:46Z 100 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 1-chlorooctane ClCCCCCCCC 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=1-chlorooctane c1ccc-2c(c1)-c3cccc4c3c2ccc4.ClCCCCCCCC 2012-05-16T19:28:46Z 101 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 1-chlorooctane ClCCCCCCCC 0.804 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=1-chlorooctane c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.ClCCCCCCCC 2012-05-16T19:28:46Z 102 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 1-chlorooctane ClCCCCCCCC 0.035 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=1-chlorooctane c1cc2ccc3cccc4c3c2c(c1)cc4.ClCCCCCCCC 2012-05-16T19:28:46Z 103 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 1-chlorooctane ClCCCCCCCC 0.086 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=1-chlorooctane O=C1c3c(Sc2c1cccc2)cccc3.ClCCCCCCCC 2012-05-16T19:28:46Z 104 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 1-chlorooctane ClCCCCCCCC 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=1-chlorooctane c1ccc2c(c1)c3ccccc3[nH]2.ClCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 105 carbazole c1ccc2c(c1)c3ccccc3[nH]2 1-chlorotetradecane ClCCCCCCCCCCCCCC 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbazole&solvent=1-chlorotetradecane [O-][N+](=O)c2cccc1ccccc12.OCCCCCCCCCC 2012-05-16T19:28:46Z 106 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 1-decanol OCCCCCCCCCC 0.355 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=1-decanol O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.OCCCCCCCCCC 2012-05-16T19:28:46Z 107 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O 1-decanol OCCCCCCCCCC 0.390 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=1-decanol O=C(O)c1ccccc1OC.OCCCCCCCCCC 2012-05-16T19:28:46Z 108 2-methoxybenzoic acid O=C(O)c1ccccc1OC 1-decanol OCCCCCCCCCC 0.220 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=1-decanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.OCCCCCCCCCC 2012-05-16T19:28:46Z 109 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 1-decanol OCCCCCCCCCC 0.046 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=1-decanol O=C(O)c1ccccc1C.OCCCCCCCCCC 2012-05-16T19:28:46Z 110 2-methylbenzoic acid O=C(O)c1ccccc1C 1-decanol OCCCCCCCCCC 1.040 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=1-decanol O=C(O)c1cc(Cl)ccc1.OCCCCCCCCCC 2012-05-16T19:28:46Z 111 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 1-decanol OCCCCCCCCCC 0.605 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=1-decanol O=C(O)c1cc(ccc1)C.OCCCCCCCCCC 2012-05-16T19:28:46Z 112 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 1-decanol OCCCCCCCCCC 0.910 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=1-decanol O=[N+]([O-])c1cc(C(=O)O)ccc1.OCCCCCCCCCC 2012-05-16T19:28:46Z 113 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 1-decanol OCCCCCCCCCC 0.771 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=1-decanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.OCCCCCCCCCC 2012-05-16T19:28:46Z 114 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 1-decanol OCCCCCCCCCC 0.180 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=1-decanol O=C(O)c1ccc(N)cc1.OCCCCCCCCCC 2012-05-16T19:28:46Z 115 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 1-decanol OCCCCCCCCCC 0.092 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=1-decanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OCCCCCCCCCC 2012-05-16T19:28:46Z 116 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 1-decanol OCCCCCCCCCC 0.190 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=1-decanol O=C(O)c1ccc(Cl)cc1.OCCCCCCCCCC 2012-05-16T19:28:46Z 117 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 1-decanol OCCCCCCCCCC 0.103 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=1-decanol COc1ccc(cc1)C(O)=O.OCCCCCCCCCC 2012-05-16T19:28:46Z 118 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 1-decanol OCCCCCCCCCC 0.070 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=1-decanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OCCCCCCCCCC 2012-05-16T19:28:46Z 119 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 1-decanol OCCCCCCCCCC 0.050 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=1-decanol O=C3c1ccccc1c2c3cccc2.OCCCCCCCCCC 2012-05-16T19:28:46Z 120 9-fluorenone O=C3c1ccccc1c2c3cccc2 1-decanol OCCCCCCCCCC 0.420 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=1-decanol c1cc2cccc3c2c(c1)CC3.OCCCCCCCCCC 2012-05-16T19:28:46Z 121 acenaphthene c1cc2cccc3c2c(c1)CC3 1-decanol OCCCCCCCCCC 0.355 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=1-decanol O=C(Oc1ccccc1C(=O)O)C.OCCCCCCCCCC 2012-05-16T19:28:46Z 122 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 1-decanol OCCCCCCCCCC 0.193 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=1-decanol c1ccc2cc3ccccc3cc2c1.OCCCCCCCCCC 2012-05-16T19:28:46Z 123 anthracene c1ccc2cc3ccccc3cc2c1 1-decanol OCCCCCCCCCC 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=1-decanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.OCCCCCCCCCC 2012-05-16T19:28:46Z 124 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 1-decanol OCCCCCCCCCC 0.110 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=1-decanol c1ccc(cc1)C(C(=O)c2ccccc2)O.OCCCCCCCCCC 2012-05-16T19:28:46Z 125 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 1-decanol OCCCCCCCCCC 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=1-decanol O=C(OCCCC)c1ccc(O)cc1.OCCCCCCCCCC 2012-05-16T19:28:46Z 126 butylparaben O=C(OCCCC)c1ccc(O)cc1 1-decanol OCCCCCCCCCC 1.572 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butylparaben&solvent=1-decanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.CCCCCCCCCCO 2012-05-16T19:28:46Z 127 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 1-decanol CCCCCCCCCCO 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=1-decanol O=S(=O)(c1ccccc1)c2ccccc2.OCCCCCCCCCC 2012-05-16T19:28:46Z 128 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 1-decanol OCCCCCCCCCC 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=1-decanol Clc1ccc(NC(=O)N(C)C)cc1Cl.OCCCCCCCCCC 2012-05-16T19:28:46Z 129 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 1-decanol OCCCCCCCCCC 0.073 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=1-decanol c1c(c(cc(c1C)C)C)C.OCCCCCCCCCC 2012-05-16T19:28:46Z 130 durene c1c(c(cc(c1C)C)C)C 1-decanol OCCCCCCCCCC 0.799 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=1-decanol O=C(OCC)c1ccc(O)cc1.OCCCCCCCCCC 2012-05-16T19:28:46Z 131 ethylparaben O=C(OCC)c1ccc(O)cc1 1-decanol OCCCCCCCCCC 0.620 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethylparaben&solvent=1-decanol c1ccc-2c(c1)Cc3c2cccc3.OCCCCCCCCCC 2012-05-16T19:28:46Z 132 fluorene c1ccc-2c(c1)Cc3c2cccc3 1-decanol OCCCCCCCCCC 0.247 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=1-decanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.OCCCCCCCCCC 2012-05-16T19:28:46Z 133 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 1-decanol OCCCCCCCCCC 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=1-decanol O=C(O)C(c1ccc(cc1)CC(C)C)C.OCCCCCCCCCC 2012-05-16T19:28:46Z 134 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C 1-decanol OCCCCCCCCCC 1.120 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=1-decanol CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.OCCCCCCCCCC 2012-05-16T19:28:46Z 135 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O 1-decanol OCCCCCCCCCC 0.431 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=1-decanol COC(=O)c1ccc(cc1)O.OCCCCCCCCCC 2012-05-16T19:28:46Z 136 methylparaben COC(=O)c1ccc(cc1)O 1-decanol OCCCCCCCCCC 0.475 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=1-decanol Clc1ccc(NC(=O)N(C)C)cc1.OCCCCCCCCCC 2012-05-16T19:28:46Z 137 monuron Clc1ccc(NC(=O)N(C)C)cc1 1-decanol OCCCCCCCCCC 0.069 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=1-decanol O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.OCCCCCCCCCC 2012-05-16T19:28:46Z 138 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C 1-decanol OCCCCCCCCCC 0.085 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=1-decanol c1ccc2c(c1)Nc3ccccc3S2.OCCCCCCCCCC 2012-05-16T19:28:46Z 139 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 1-decanol OCCCCCCCCCC 0.104 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=1-decanol O=C(OCCC)c1ccc(O)cc1.OCCCCCCCCCC 2012-05-16T19:28:46Z 140 propylparaben O=C(OCCC)c1ccc(O)cc1 1-decanol OCCCCCCCCCC 0.922 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=propylparaben&solvent=1-decanol c1cc2ccc3cccc4c3c2c(c1)cc4.OCCCCCCCCCC 2012-05-16T19:28:46Z 141 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 1-decanol OCCCCCCCCCC 0.150 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=1-decanol O=C(c1ccccc1O)N.OCCCCCCCCCC 2012-05-16T19:28:46Z 142 salicylamide O=C(c1ccccc1O)N 1-decanol OCCCCCCCCCC 0.110 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=1-decanol S1c3c(Sc2c1cccc2)cccc3.OCCCCCCCCCC 2012-05-16T19:28:46Z 143 thianthrene S1c3c(Sc2c1cccc2)cccc3 1-decanol OCCCCCCCCCC 0.040 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=1-decanol O=C1c3c(Sc2c1cccc2)cccc3.OCCCCCCCCCC 2012-05-16T19:28:46Z 144 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 1-decanol OCCCCCCCCCC 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=1-decanol O2c1ccccc1Cc3c2cccc3.OCCCCCCCCCC 2012-05-16T19:28:46Z 145 xanthene O2c1ccccc1Cc3c2cccc3 1-decanol OCCCCCCCCCC 0.240 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=1-decanol [O-][N+](=O)c2cccc1ccccc12.OCCCCCCC 2012-05-16T19:28:46Z 146 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 1-heptanol OCCCCCCC 0.382 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=1-heptanol O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.OCCCCCCC 2012-05-16T19:28:46Z 147 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O 1-heptanol OCCCCCCC 0.540 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=1-heptanol O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.OCCCCCCC 2012-05-16T19:28:46Z 148 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC 1-heptanol OCCCCCCC 0.068 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=1-heptanol O=C(O)c1ccccc1OC.OCCCCCCC 2012-05-16T19:28:46Z 149 2-methoxybenzoic acid O=C(O)c1ccccc1OC 1-heptanol OCCCCCCC 0.340 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=1-heptanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.OCCCCCCC 2012-05-16T19:28:46Z 150 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 1-heptanol OCCCCCCC 0.119 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=1-heptanol O=C(O)c1ccccc1C.OCCCCCCC 2012-05-16T19:28:46Z 151 2-methylbenzoic acid O=C(O)c1ccccc1C 1-heptanol OCCCCCCC 1.280 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=1-heptanol O=C(O)c1cc(Cl)ccc1.OCCCCCCC 2012-05-16T19:28:46Z 152 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 1-heptanol OCCCCCCC 0.749 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=1-heptanol O=C(O)c1cc(ccc1)C.OCCCCCCC 2012-05-16T19:28:46Z 153 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 1-heptanol OCCCCCCC 1.393 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=1-heptanol [O-][N+](=O)C1=N\C(=O)\N=N1.OCCCCCCC 2012-05-16T19:28:46Z 154 3-nitro-1,2,4-triazol-5-one [O-][N+](=O)C1=N\C(=O)\N=N1 1-heptanol OCCCCCCC 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitro-1,2,4-triazol-5-one&solvent=1-heptanol O=[N+]([O-])c1cc(C(=O)O)ccc1.OCCCCCCC 2012-05-16T19:28:46Z 155 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 1-heptanol OCCCCCCC 0.987 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=1-heptanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.OCCCCCCC 2012-05-16T19:28:46Z 156 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 1-heptanol OCCCCCCC 0.223 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=1-heptanol O=C(O)c1ccc(N)cc1.OCCCCCCC 2012-05-16T19:28:46Z 157 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 1-heptanol OCCCCCCC 0.162 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=1-heptanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OCCCCCCC 2012-05-16T19:28:46Z 158 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 1-heptanol OCCCCCCC 0.250 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=1-heptanol O=C(O)c1ccc(Cl)cc1.OCCCCCCC 2012-05-16T19:28:46Z 159 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 1-heptanol OCCCCCCC 0.126 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=1-heptanol O=C(O)c1ccc(O)cc1.OCCCCCCC 2012-05-16T19:28:46Z 160 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 1-heptanol OCCCCCCC 0.822 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=1-heptanol COc1ccc(cc1)C(O)=O.OCCCCCCC 2012-05-16T19:28:46Z 161 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 1-heptanol OCCCCCCC 0.090 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=1-heptanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OCCCCCCC 2012-05-16T19:28:46Z 162 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 1-heptanol OCCCCCCC 0.080 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=1-heptanol c1c[n+](ccc1[N+](=O)[O-])[O-].OCCCCCCC 2012-05-16T19:28:46Z 163 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 1-heptanol OCCCCCCC 0.022 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=1-heptanol O=C3c1ccccc1c2c3cccc2.OCCCCCCC 2012-05-16T19:28:46Z 164 9-fluorenone O=C3c1ccccc1c2c3cccc2 1-heptanol OCCCCCCC 0.430 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=1-heptanol c1cc2cccc3c2c(c1)CC3.OCCCCCCC 2012-05-16T19:28:46Z 165 acenaphthene c1cc2cccc3c2c(c1)CC3 1-heptanol OCCCCCCC 0.326 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=1-heptanol O=C(Nc1ccc(O)cc1)C.OCCCCCCC 2012-05-16T19:28:46Z 166 acetaminophen O=C(Nc1ccc(O)cc1)C 1-heptanol OCCCCCCC 0.196 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=1-heptanol O=C(Oc1ccccc1C(=O)O)C.OCCCCCCC 2012-05-16T19:28:46Z 167 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 1-heptanol OCCCCCCC 0.275 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=1-heptanol c1ccc2cc3ccccc3cc2c1.OCCCCCCC 2012-05-16T19:28:46Z 168 anthracene c1ccc2cc3ccccc3cc2c1 1-heptanol OCCCCCCC 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=1-heptanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.OCCCCCCC 2012-05-16T19:28:46Z 169 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 1-heptanol OCCCCCCC 0.115 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=1-heptanol O=C(O)c1ccccc1.OCCCCCCC 2012-05-16T19:28:46Z 170 benzoic acid O=C(O)c1ccccc1 1-heptanol OCCCCCCC 1.452 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=1-heptanol c1ccc(cc1)C(C(=O)c2ccccc2)O.OCCCCCCC 2012-05-16T19:28:46Z 171 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 1-heptanol OCCCCCCC 0.019 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=1-heptanol c1ccc(cc1)c2ccccc2.OCCCCCCC 2012-05-16T19:28:46Z 172 biphenyl c1ccc(cc1)c2ccccc2 1-heptanol OCCCCCCC 0.701 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=1-heptanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.CCCCCCCO 2012-05-16T19:28:46Z 173 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 1-heptanol CCCCCCCO 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=1-heptanol O=S(=O)(c1ccccc1)c2ccccc2.OCCCCCCC 2012-05-16T19:28:46Z 174 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 1-heptanol OCCCCCCC 0.035 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=1-heptanol Clc1ccc(NC(=O)N(C)C)cc1Cl.OCCCCCCC 2012-05-16T19:28:46Z 175 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 1-heptanol OCCCCCCC 0.106 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=1-heptanol c1c(c(cc(c1C)C)C)C.OCCCCCCC 2012-05-16T19:28:46Z 176 durene c1c(c(cc(c1C)C)C)C 1-heptanol OCCCCCCC 0.717 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=1-heptanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.OCCCCCCC 2012-05-16T19:28:46Z 177 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 1-heptanol OCCCCCCC 0.177 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=1-heptanol c1ccc-2c(c1)Cc3c2cccc3.OCCCCCCC 2012-05-16T19:28:46Z 178 fluorene c1ccc-2c(c1)Cc3c2cccc3 1-heptanol OCCCCCCC 0.247 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=1-heptanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.OCCCCCCC 2012-05-16T19:28:46Z 179 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 1-heptanol OCCCCCCC 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=1-heptanol CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.OCCCCCCC 2012-05-16T19:28:46Z 180 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O 1-heptanol OCCCCCCC 0.461 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=1-heptanol O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.OCCCCCCC 2012-05-16T19:28:46Z 181 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C 1-heptanol OCCCCCCC 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=1-heptanol COC(=O)c1ccc(cc1)O.OCCCCCCC 2012-05-16T19:28:46Z 182 methylparaben COC(=O)c1ccc(cc1)O 1-heptanol OCCCCCCC 1.066 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=1-heptanol Clc1ccc(NC(=O)N(C)C)cc1.OCCCCCCC 2012-05-16T19:28:46Z 183 monuron Clc1ccc(NC(=O)N(C)C)cc1 1-heptanol OCCCCCCC 0.105 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=1-heptanol O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.OCCCCCCC 2012-05-16T19:28:46Z 184 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C 1-heptanol OCCCCCCC 0.133 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=1-heptanol c1ccc2c(c1)ccc3c2cccc3.OCCCCCCC 2012-05-16T19:28:46Z 185 phenanthrene c1ccc2c(c1)ccc3c2cccc3 1-heptanol OCCCCCCC 0.276 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=1-heptanol c1ccc2c(c1)Nc3ccccc3S2.OCCCCCCC 2012-05-16T19:28:46Z 186 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 1-heptanol OCCCCCCC 0.124 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=1-heptanol Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5.OCCCCCCC 2012-05-16T19:28:46Z 187 pimozide Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5 1-heptanol OCCCCCCC 0.029 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimozide&solvent=1-heptanol c1cc2ccc3cccc4c3c2c(c1)cc4.OCCCCCCC 2012-05-16T19:28:46Z 188 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 1-heptanol OCCCCCCC 0.119 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=1-heptanol O=C(c1ccccc1O)N.OCCCCCCC 2012-05-16T19:28:46Z 189 salicylamide O=C(c1ccccc1O)N 1-heptanol OCCCCCCC 0.215 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=1-heptanol S1c3c(Sc2c1cccc2)cccc3.OCCCCCCC 2012-05-16T19:28:46Z 190 thianthrene S1c3c(Sc2c1cccc2)cccc3 1-heptanol OCCCCCCC 0.035 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=1-heptanol O=C1c3c(Sc2c1cccc2)cccc3.OCCCCCCC 2012-05-16T19:28:46Z 191 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 1-heptanol OCCCCCCC 0.016 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=1-heptanol c1ccc(cc1)/C=C/c2ccccc2.OCCCCCCC 2012-05-16T19:28:46Z 192 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 1-heptanol OCCCCCCC 0.077 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=1-heptanol O2c1ccccc1Cc3c2cccc3.OCCCCCCC 2012-05-16T19:28:46Z 193 xanthene O2c1ccccc1Cc3c2cccc3 1-heptanol OCCCCCCC 0.230 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=1-heptanol [O-][N+](=O)c2cccc1ccccc12.CCCCCCO 2012-05-16T19:28:46Z 194 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 1-hexanol CCCCCCO 0.393 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=1-hexanol O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.OCCCCCC 2012-05-16T19:28:46Z 195 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O 1-hexanol OCCCCCC 0.640 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=1-hexanol O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.OCCCCCC 2012-05-16T19:28:46Z 196 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC 1-hexanol OCCCCCC 0.060 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=1-hexanol O=C(O)c1ccccc1OC.OCCCCCC 2012-05-16T19:28:46Z 197 2-methoxybenzoic acid O=C(O)c1ccccc1OC 1-hexanol OCCCCCC 0.370 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=1-hexanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.OCCCCCC 2012-05-16T19:28:46Z 198 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 1-hexanol OCCCCCC 0.108 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=1-hexanol n2c1ccccc1nc2C.OCCCCCC 2012-05-16T19:28:46Z 199 2-methylbenzimidazole n2c1ccccc1nc2C 1-hexanol OCCCCCC 1.344 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzimidazole&solvent=1-hexanol O=C(O)c1ccccc1C.OCCCCCC 2012-05-16T19:28:46Z 200 2-methylbenzoic acid O=C(O)c1ccccc1C 1-hexanol OCCCCCC 1.380 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=1-hexanol O=C(O)c1cc(Cl)ccc1.CCCCCCO 2012-05-16T19:28:46Z 201 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 1-hexanol CCCCCCO 0.856 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=1-hexanol O=C(O)c1cc(ccc1)C.CCCCCCO 2012-05-16T19:28:46Z 202 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 1-hexanol CCCCCCO 1.477 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=1-hexanol [O-][N+](=O)C1=N\C(=O)\N=N1.CCCCCCO 2012-05-16T19:28:46Z 203 3-nitro-1,2,4-triazol-5-one [O-][N+](=O)C1=N\C(=O)\N=N1 1-hexanol CCCCCCO 0.038 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitro-1,2,4-triazol-5-one&solvent=1-hexanol O=[N+]([O-])c1cc(C(=O)O)ccc1.CCCCCCO 2012-05-16T19:28:46Z 204 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 1-hexanol CCCCCCO 1.126 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=1-hexanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.CCCCCCO 2012-05-16T19:28:46Z 205 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 1-hexanol CCCCCCO 0.240 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=1-hexanol O=C(O)c1ccc(N)cc1.OCCCCCC 2012-05-16T19:28:46Z 206 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 1-hexanol OCCCCCC 0.214 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=1-hexanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OCCCCCC 2012-05-16T19:28:46Z 207 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 1-hexanol OCCCCCC 0.270 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=1-hexanol O=C(O)c1ccc(Cl)cc1.CCCCCCO 2012-05-16T19:28:46Z 208 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 1-hexanol CCCCCCO 0.132 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=1-hexanol O=C(O)c1ccc(O)cc1.OCCCCCC 2012-05-16T19:28:46Z 209 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 1-hexanol OCCCCCC 0.948 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=1-hexanol COc1ccc(cc1)C(O)=O.OCCCCCC 2012-05-16T19:28:46Z 210 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 1-hexanol OCCCCCC 0.100 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=1-hexanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OCCCCCC 2012-05-16T19:28:46Z 211 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 1-hexanol OCCCCCC 0.080 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=1-hexanol c1c[n+](ccc1[N+](=O)[O-])[O-].OCCCCCC 2012-05-16T19:28:46Z 212 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 1-hexanol OCCCCCC 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=1-hexanol O=C(O)CCCc1ccccc1.OCCCCCC 2012-05-16T19:28:46Z 213 4-phenylbutyric acid O=C(O)CCCc1ccccc1 1-hexanol OCCCCCC 0.500 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-phenylbutyric+acid&solvent=1-hexanol O=C3c1ccccc1c2c3cccc2.OCCCCCC 2012-05-16T19:28:46Z 214 9-fluorenone O=C3c1ccccc1c2c3cccc2 1-hexanol OCCCCCC 0.410 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=1-hexanol c1cc2cccc3c2c(c1)CC3.CCCCCCO 2012-05-16T19:28:46Z 215 acenaphthene c1cc2cccc3c2c(c1)CC3 1-hexanol CCCCCCO 0.312 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=1-hexanol O=C(Nc1ccc(O)cc1)C.OCCCCCC 2012-05-16T19:28:46Z 216 acetaminophen O=C(Nc1ccc(O)cc1)C 1-hexanol OCCCCCC 0.264 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=1-hexanol O=C(Oc1ccccc1C(=O)O)C.OCCCCCC 2012-05-16T19:28:46Z 217 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 1-hexanol OCCCCCC 0.314 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=1-hexanol c1ccc2cc3ccccc3cc2c1.OCCCCCC 2012-05-16T19:28:46Z 218 anthracene c1ccc2cc3ccccc3cc2c1 1-hexanol OCCCCCC 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=1-hexanol O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO.OCCCCCC 2012-05-16T19:28:46Z 219 ascorbic acid O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO 1-hexanol OCCCCCC 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ascorbic+acid&solvent=1-hexanol O=C(O)c2ccc([N+](/[O-])=N/c1ccc(cc1)C(=O)O)cc2.OCCCCCC 2012-05-16T19:28:46Z 220 azoxydibenzoic acid O=C(O)c2ccc([N+](/[O-])=N/c1ccc(cc1)C(=O)O)cc2 1-hexanol OCCCCCC 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=azoxydibenzoic+acid&solvent=1-hexanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.CCCCCCO 2012-05-16T19:28:46Z 221 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 1-hexanol CCCCCCO 0.123 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=1-hexanol c1ccc2c(c1)[nH]cn2.OCCCCCC 2012-05-16T19:28:46Z 222 benzimidazole c1ccc2c(c1)[nH]cn2 1-hexanol OCCCCCC 0.992 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=1-hexanol O=C(O)c1ccccc1.OCCCCCC 2012-05-16T19:28:46Z 223 benzoic acid O=C(O)c1ccccc1 1-hexanol OCCCCCC 1.622 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=1-hexanol c1ccc(cc1)C(C(=O)c2ccccc2)O.CCCCCCO 2012-05-16T19:28:46Z 224 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 1-hexanol CCCCCCO 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=1-hexanol O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5.CCCCCCO 2012-05-16T19:28:46Z 225 betulinic acid O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5 1-hexanol CCCCCCO 0.026 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=betulinic+acid&solvent=1-hexanol c1ccc(cc1)c2ccccc2.CCCCCCO 2012-05-16T19:28:46Z 226 biphenyl c1ccc(cc1)c2ccccc2 1-hexanol CCCCCCO 0.674 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=1-hexanol O=C(OCCCC)c1ccc(O)cc1.OCCCCCC 2012-05-16T19:28:46Z 227 butylparaben O=C(OCCCC)c1ccc(O)cc1 1-hexanol OCCCCCC 2.571 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butylparaben&solvent=1-hexanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.CCCCCCO 2012-05-16T19:28:46Z 228 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 1-hexanol CCCCCCO 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=1-hexanol O=S(=O)(c1ccccc1)c2ccccc2.CCCCCCO 2012-05-16T19:28:46Z 229 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 1-hexanol CCCCCCO 0.042 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=1-hexanol Clc1ccc(NC(=O)N(C)C)cc1Cl.CCCCCCO 2012-05-16T19:28:46Z 230 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 1-hexanol CCCCCCO 0.115 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=1-hexanol c1c(c(cc(c1C)C)C)C.CCCCCCO 2012-05-16T19:28:46Z 231 durene c1c(c(cc(c1C)C)C)C 1-hexanol CCCCCCO 0.685 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=1-hexanol O=C(OCC)c1ccc(O)cc1.OCCCCCC 2012-05-16T19:28:46Z 232 ethylparaben O=C(OCC)c1ccc(O)cc1 1-hexanol OCCCCCC 1.474 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethylparaben&solvent=1-hexanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.CCCCCCO 2012-05-16T19:28:46Z 233 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 1-hexanol CCCCCCO 0.158 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=1-hexanol c1ccc-2c(c1)Cc3c2cccc3.CCCCCCO 2012-05-16T19:28:46Z 234 fluorene c1ccc-2c(c1)Cc3c2cccc3 1-hexanol CCCCCCO 0.219 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=1-hexanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.OCCCCCC 2012-05-16T19:28:46Z 235 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 1-hexanol OCCCCCC 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=1-hexanol O=C(O)c1cccc(C(=O)O)c1.CCCCCCO 2012-05-16T19:28:46Z 236 isophthalic acid O=C(O)c1cccc(C(=O)O)c1 1-hexanol CCCCCCO 0.019 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isophthalic+acid&solvent=1-hexanol CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.OCCCCCC 2012-05-16T19:28:46Z 237 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O 1-hexanol OCCCCCC 0.616 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=1-hexanol O=C(O)C(O)c1ccccc1.OCCCCCC 2012-05-16T19:28:46Z 238 mandelic acid O=C(O)C(O)c1ccccc1 1-hexanol OCCCCCC 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=mandelic+acid&solvent=1-hexanol O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.CCCCCCO 2012-05-16T19:28:46Z 239 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C 1-hexanol CCCCCCO 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=1-hexanol COC(=O)c1ccc(cc1)O.OCCCCCC 2012-05-16T19:28:46Z 240 methylparaben COC(=O)c1ccc(cc1)O 1-hexanol OCCCCCC 1.210 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=1-hexanol Clc1ccc(NC(=O)N(C)C)cc1.OCCCCCC 2012-05-16T19:28:46Z 241 monuron Clc1ccc(NC(=O)N(C)C)cc1 1-hexanol OCCCCCC 0.120 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=1-hexanol O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.OCCCCCC 2012-05-16T19:28:46Z 242 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C 1-hexanol OCCCCCC 0.131 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=1-hexanol c1ccc2c(c1)ccc3c2cccc3.OCCCCCC 2012-05-16T19:28:46Z 243 phenanthrene c1ccc2c(c1)ccc3c2cccc3 1-hexanol OCCCCCC 0.240 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=1-hexanol c1ccc2c(c1)Nc3ccccc3S2.CCCCCCO 2012-05-16T19:28:46Z 244 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 1-hexanol CCCCCCO 0.124 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=1-hexanol Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5.OCCCCCC 2012-05-16T19:28:46Z 245 pimozide Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5 1-hexanol OCCCCCC 0.026 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimozide&solvent=1-hexanol O=C(OCCC)c1ccc(O)cc1.OCCCCCC 2012-05-16T19:28:46Z 246 propylparaben O=C(OCCC)c1ccc(O)cc1 1-hexanol OCCCCCC 1.590 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=propylparaben&solvent=1-hexanol c1cc2ccc3cccc4c3c2c(c1)cc4.CCCCCCO 2012-05-16T19:28:46Z 247 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 1-hexanol CCCCCCO 0.101 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=1-hexanol O=C(c1ccccc1O)N.OCCCCCC 2012-05-16T19:28:46Z 248 salicylamide O=C(c1ccccc1O)N 1-hexanol OCCCCCC 0.262 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=1-hexanol S1c3c(Sc2c1cccc2)cccc3.OCCCCCC 2012-05-16T19:28:46Z 249 thianthrene S1c3c(Sc2c1cccc2)cccc3 1-hexanol OCCCCCC 0.031 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=1-hexanol O=C1c3c(Sc2c1cccc2)cccc3.OCCCCCC 2012-05-16T19:28:46Z 250 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 1-hexanol OCCCCCC 0.015 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=1-hexanol C(=S)(N)N.CCCCCCO 2012-05-16T19:28:46Z 251 thiourea C(=S)(N)N 1-hexanol CCCCCCO 0.074 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiourea&solvent=1-hexanol c1ccc(cc1)/C=C/c2ccccc2.OCCCCCC 2012-05-16T19:28:46Z 252 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 1-hexanol OCCCCCC 0.067 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=1-hexanol O2c1ccccc1Cc3c2cccc3.OCCCCCC 2012-05-16T19:28:46Z 253 xanthene O2c1ccccc1Cc3c2cccc3 1-hexanol OCCCCCC 0.220 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=1-hexanol O=C(O)CC(O)(C(=O)O)CC(=O)O.c1cc(ccc1C(C)C)C 2012-05-16T19:28:46Z 254 citric acid monohydrate O=C(O)CC(O)(C(=O)O)CC(=O)O 1-isopropyl-4-methyl-benzene c1cc(ccc1C(C)C)C 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=citric+acid+monohydrate&solvent=1-isopropyl-4-methyl-benzene c32c(c1cccc(c1C2)C)cccc3.OCCCCCCCC 2012-05-16T19:28:46Z 255 1-methylfluorene c32c(c1cccc(c1C2)C)cccc3 1-octanol OCCCCCCCC 0.275 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-methylfluorene&solvent=1-octanol [O-][N+](=O)c2cccc1ccccc12.CCCCCCCCO 2012-05-16T19:28:46Z 256 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 1-octanol CCCCCCCCO 0.379 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=1-octanol Clc1cccc(Cl)c1Cl.OCCCCCCCC 2012-05-16T19:28:46Z 257 1,2,3-trichlorobenzene Clc1cccc(Cl)c1Cl 1-octanol OCCCCCCCC 1.372 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,3-trichlorobenzene&solvent=1-octanol Clc1cc(Cl)c(Cl)c(Cl)c1.OCCCCCCCC 2012-05-16T19:28:46Z 258 1,2,3,5-tetrachlorobenzene Clc1cc(Cl)c(Cl)c(Cl)c1 1-octanol OCCCCCCCC 1.413 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,3,5-tetrachlorobenzene&solvent=1-octanol Brc1cc(Br)c(Br)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 259 1,2,4-tribromobenzene Brc1cc(Br)c(Br)cc1 1-octanol OCCCCCCCC 0.708 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,4-tribromobenzene&solvent=1-octanol Brc1c(Br)cc(Br)c(Br)c1.OCCCCCCCC 2012-05-16T19:28:46Z 260 1,2,4,5-tetrabromobenzene Brc1c(Br)cc(Br)c(Br)c1 1-octanol OCCCCCCCC 0.048 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,4,5-tetrabromobenzene&solvent=1-octanol c1c(c(cc(c1Cl)Cl)Cl)Cl.OCCCCCCCC 2012-05-16T19:28:46Z 261 1,2,4,5-tetrachlorobenzene c1c(c(cc(c1Cl)Cl)Cl)Cl 1-octanol OCCCCCCCC 0.102 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,4,5-tetrachlorobenzene&solvent=1-octanol Brc1cc(Br)cc(Br)c1.OCCCCCCCC 2012-05-16T19:28:46Z 262 1,3,5-tribromobenzene Brc1cc(Br)cc(Br)c1 1-octanol OCCCCCCCC 0.126 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,3,5-tribromobenzene&solvent=1-octanol Clc1cc(Cl)cc(Cl)c1.OCCCCCCCC 2012-05-16T19:28:46Z 263 1,3,5-trichlorobenzene Clc1cc(Cl)cc(Cl)c1 1-octanol OCCCCCCCC 0.692 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,3,5-trichlorobenzene&solvent=1-octanol Brc1ccc(Br)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 264 1,4-dibromobenzene Brc1ccc(Br)cc1 1-octanol OCCCCCCCC 0.501 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=1-octanol Clc1ccc(Cl)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 265 1,4-dichlorobenzene Clc1ccc(Cl)cc1 1-octanol OCCCCCCCC 1.550 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dichlorobenzene&solvent=1-octanol c1ccc(c(c1)C(=O)O)N.CCCCCCCCO 2012-05-16T19:28:46Z 266 2-aminobenzoic acid c1ccc(c(c1)C(=O)O)N 1-octanol CCCCCCCCO 0.398 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-aminobenzoic+acid&solvent=1-octanol O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.OCCCCCCCC 2012-05-16T19:28:46Z 267 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O 1-octanol OCCCCCCCC 0.480 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=1-octanol O=C(O)c1ccccc1Cl.CCCCCCCCO 2012-05-16T19:28:46Z 268 2-chlorobenzoic acid O=C(O)c1ccccc1Cl 1-octanol CCCCCCCCO 0.734 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chlorobenzoic+acid&solvent=1-octanol O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.OCCCCCCCC 2012-05-16T19:28:46Z 269 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC 1-octanol OCCCCCCCC 0.069 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=1-octanol O=C(O)c1ccccc1OC.OCCCCCCCC 2012-05-16T19:28:46Z 270 2-methoxybenzoic acid O=C(O)c1ccccc1OC 1-octanol OCCCCCCCC 0.300 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=1-octanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.OCCCCCCCC 2012-05-16T19:28:46Z 271 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 1-octanol OCCCCCCCC 0.079 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=1-octanol [O-][N+](=O)c1cnc(n1)C.OCCCCCCCC 2012-05-16T19:28:46Z 272 2-methyl-4-nitroimidazole [O-][N+](=O)c1cnc(n1)C 1-octanol OCCCCCCCC 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-4-nitroimidazole&solvent=1-octanol O=C(O)c1ccccc1C.OCCCCCCCC 2012-05-16T19:28:46Z 273 2-methylbenzoic acid O=C(O)c1ccccc1C 1-octanol OCCCCCCCC 1.114 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=1-octanol c1ccc(c(c1)C(=O)O)[N+](=O)[O-].CCCCCCCCO 2012-05-16T19:28:46Z 274 2-nitrobenzoic acid c1ccc(c(c1)C(=O)O)[N+](=O)[O-] 1-octanol CCCCCCCCO 0.506 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-nitrobenzoic+acid&solvent=1-octanol c4c3cc2cc1ccccc1cc2cc3ccc4.OCCCCCCCC 2012-05-16T19:28:46Z 275 2,3-benzanthracene c4c3cc2cc1ccccc1cc2cc3ccc4 1-octanol OCCCCCCCC 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-benzanthracene&solvent=1-octanol c1cccc4c1c2c(cc3c(c2)cccc3)C4.OCCCCCCCC 2012-05-16T19:28:46Z 276 2,3-benzofluorene c1cccc4c1c2c(cc3c(c2)cccc3)C4 1-octanol OCCCCCCCC 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-benzofluorene&solvent=1-octanol Clc1ccc([N+]([O-])=O)c(Cl)c1Cl.OCCCCCCCC 2012-05-16T19:28:46Z 277 2,3,4-trichloronitrobenzene Clc1ccc([N+]([O-])=O)c(Cl)c1Cl 1-octanol OCCCCCCCC 0.513 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3,4-trichloronitrobenzene&solvent=1-octanol Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl.OCCCCCCCC 2012-05-16T19:28:46Z 278 2,3,5,6-tetrachloronitrobenzene Clc1c([N+]([O-])=O)c(Cl)c(Cl)cc1Cl 1-octanol OCCCCCCCC 0.209 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3,5,6-tetrachloronitrobenzene&solvent=1-octanol Clc1cc(Cl)c(O)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 279 2,4-dichlorophenol Clc1cc(Cl)c(O)cc1 1-octanol OCCCCCCCC 2.291 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,4-dichlorophenol&solvent=1-octanol c1c(cc(c(c1Cl)O)Cl)Cl.OCCCCCCCC 2012-05-16T19:28:46Z 280 2,4,6-trichlorophenol c1c(cc(c(c1Cl)O)Cl)Cl 1-octanol OCCCCCCCC 1.660 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,4,6-trichlorophenol&solvent=1-octanol O=C(O)c1cc(Cl)ccc1.CCCCCCCCO 2012-05-16T19:28:46Z 281 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 1-octanol CCCCCCCCO 0.718 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=1-octanol O=C(O)c1cc(ccc1)C.CCCCCCCCO 2012-05-16T19:28:46Z 282 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 1-octanol CCCCCCCCO 1.266 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=1-octanol O=[N+]([O-])c1cc(C(=O)O)ccc1.CCCCCCCCO 2012-05-16T19:28:46Z 283 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 1-octanol CCCCCCCCO 0.950 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=1-octanol Clc1ccc(cc1Cl)[N+]([O-])=O.OCCCCCCCC 2012-05-16T19:28:46Z 284 3,4-dichloronitrobenzene Clc1ccc(cc1Cl)[N+]([O-])=O 1-octanol OCCCCCCCC 0.832 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,4-dichloronitrobenzene&solvent=1-octanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.CCCCCCCCO 2012-05-16T19:28:46Z 285 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 1-octanol CCCCCCCCO 0.208 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=1-octanol O=C(O)c1ccc(N)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 286 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 1-octanol OCCCCCCCC 0.107 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=1-octanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OCCCCCCCC 2012-05-16T19:28:46Z 287 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 1-octanol OCCCCCCCC 0.230 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=1-octanol O=C(O)c1ccc(Cl)cc1.CCCCCCCCO 2012-05-16T19:28:46Z 288 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 1-octanol CCCCCCCCO 0.120 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=1-octanol O=C(O)c1ccc(O)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 289 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 1-octanol OCCCCCCCC 0.680 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=1-octanol COc1ccc(cc1)C(O)=O.OCCCCCCCC 2012-05-16T19:28:46Z 290 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 1-octanol OCCCCCCCC 0.080 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=1-octanol Cc1ccc(cc1)C(=O)O.OCCCCCCCC 2012-05-16T19:28:46Z 291 4-methylbenzoic acid Cc1ccc(cc1)C(=O)O 1-octanol OCCCCCCCC 0.393 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methylbenzoic+acid&solvent=1-octanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 292 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 1-octanol OCCCCCCCC 0.060 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=1-octanol c1c[n+](ccc1[N+](=O)[O-])[O-].OCCCCCCCC 2012-05-16T19:28:46Z 293 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 1-octanol OCCCCCCCC 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=1-octanol O=C3c1ccccc1c2c3cccc2.OCCCCCCCC 2012-05-16T19:28:46Z 294 9-fluorenone O=C3c1ccccc1c2c3cccc2 1-octanol OCCCCCCCC 0.430 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=1-octanol c1cc2cccc3c2c(c1)CC3.OCCCCCCCC 2012-05-16T19:28:46Z 295 acenaphthene c1cc2cccc3c2c(c1)CC3 1-octanol OCCCCCCCC 0.290 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=1-octanol O=C(Nc1ccc(O)cc1)C.OCCCCCCCC 2012-05-16T19:28:46Z 296 acetaminophen O=C(Nc1ccc(O)cc1)C 1-octanol OCCCCCCCC 0.148 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=1-octanol O=C(Nc1ccccc1)C.OCCCCCCCC 2012-05-16T19:28:46Z 297 acetanilide O=C(Nc1ccccc1)C 1-octanol OCCCCCCCC 0.742 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=1-octanol O=C(Oc1ccccc1C(=O)O)C.OCCCCCCCC 2012-05-16T19:28:46Z 298 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 1-octanol OCCCCCCCC 0.225 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=1-octanol c1ccc2cc3ccccc3cc2c1.OCCCCCCCC 2012-05-16T19:28:46Z 299 anthracene c1ccc2cc3ccccc3cc2c1 1-octanol OCCCCCCCC 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=1-octanol O=C2\C=C(/N(N2c1ccccc1)C)C.OCCCCCCCC 2012-05-16T19:28:46Z 300 antipyrine O=C2\C=C(/N(N2c1ccccc1)C)C 1-octanol OCCCCCCCC 0.646 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=antipyrine&solvent=1-octanol CC(C)NCC(COc1ccc(cc1)CC(=O)N)O.CCCCCCCCO 2012-05-16T19:28:46Z 301 atenolol CC(C)NCC(COc1ccc(cc1)CC(=O)N)O 1-octanol CCCCCCCCO 0.026 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=atenolol&solvent=1-octanol Clc1nc(nc(n1)NC(C)C)NCC.OCCCCCCCC 2012-05-16T19:28:46Z 302 atrazine Clc1nc(nc(n1)NC(C)C)NCC 1-octanol OCCCCCCCC 0.048 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=atrazine&solvent=1-octanol CCC1(C(=O)NC(=O)NC1=O)CC.OCCCCCCCC 2012-05-16T19:28:46Z 303 barbital CCC1(C(=O)NC(=O)NC1=O)CC 1-octanol OCCCCCCCC 0.120 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=barbital&solvent=1-octanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.OCCCCCCCC 2012-05-16T19:28:46Z 304 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 1-octanol OCCCCCCCC 0.118 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=1-octanol c1ccc2c(c1)cc3ccc4cccc5c4c3c2cc5.OCCCCCCCC 2012-05-16T19:28:46Z 305 benzo(a)pyrene c1ccc2c(c1)cc3ccc4cccc5c4c3c2cc5 1-octanol OCCCCCCCC 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzo(a)pyrene&solvent=1-octanol O=C(OCC)c1ccc(N)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 306 benzocaine O=C(OCC)c1ccc(N)cc1 1-octanol OCCCCCCCC 0.398 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=1-octanol O=C(O)c1ccccc1.OCCCCCCCC 2012-05-16T19:28:46Z 307 benzoic acid O=C(O)c1ccccc1 1-octanol OCCCCCCCC 1.063 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=1-octanol c1ccc(cc1)C(C(=O)c2ccccc2)O.CCCCCCCCO 2012-05-16T19:28:46Z 308 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 1-octanol CCCCCCCCO 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=1-octanol CC2(C)CCCC(\C)=C2\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(/C)CCCC1(C)C.OCCCCCCCC 2012-05-16T19:28:46Z 309 beta-carotene CC2(C)CCCC(\C)=C2\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(/C)CCCC1(C)C 1-octanol OCCCCCCCC 0.178 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=beta-carotene&solvent=1-octanol c1ccc(cc1)CCc2ccccc2.OCCCCCCCC 2012-05-16T19:28:46Z 310 bibenzyl c1ccc(cc1)CCc2ccccc2 1-octanol OCCCCCCCC 0.447 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=bibenzyl&solvent=1-octanol c1ccc(cc1)c2ccccc2.OCCCCCCCC 2012-05-16T19:28:46Z 311 biphenyl c1ccc(cc1)c2ccccc2 1-octanol OCCCCCCCC 0.719 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=1-octanol O=C(OCCCC)c1ccc(N)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 312 butyl p-aminobenzoate O=C(OCCCC)c1ccc(N)cc1 1-octanol OCCCCCCCC 1.349 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butyl+p-aminobenzoate&solvent=1-octanol O=C(OCCCC)c1ccc(O)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 313 butylparaben O=C(OCCCC)c1ccc(O)cc1 1-octanol OCCCCCCCC 2.105 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butylparaben&solvent=1-octanol Cn1cnc2c1c(=O)n(c(=O)n2C)C.OCCCCCCCC 2012-05-16T19:28:46Z 314 caffeine Cn1cnc2c1c(=O)n(c(=O)n2C)C 1-octanol OCCCCCCCC 0.019 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caffeine&solvent=1-octanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.CCCCCCCCO 2012-05-16T19:28:46Z 315 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 1-octanol CCCCCCCCO 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=1-octanol c1ccc2c(c1)ccc3c2ccc4c3cccc4.OCCCCCCCC 2012-05-16T19:28:46Z 316 chrysene c1ccc2c(c1)ccc3c2ccc4c3cccc4 1-octanol OCCCCCCCC 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chrysene&solvent=1-octanol O=C(O)C=Cc1ccccc1.CCCCCCCCO 2012-05-16T19:28:46Z 317 cinnamic acid O=C(O)C=Cc1ccccc1 1-octanol CCCCCCCCO 0.533 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=1-octanol c1cc2ccc3ccc4ccc5ccc6ccc1c7c2c3c4c5c67.OCCCCCCCC 2012-05-16T19:28:46Z 318 coronene c1cc2ccc3ccc4ccc5ccc6ccc1c7c2c3c4c5c67 1-octanol OCCCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=coronene&solvent=1-octanol O=C(CO)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C.OCCCCCCCC 2012-05-16T19:28:46Z 319 cortisone O=C(CO)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C 1-octanol OCCCCCCCC 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cortisone&solvent=1-octanol Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl.OCCCCCCCC 2012-05-16T19:28:46Z 320 DDT Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl 1-octanol OCCCCCCCC 0.134 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=DDT&solvent=1-octanol Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl.OCCCCCCCC 2012-05-16T19:28:46Z 321 decachlorobiphenyl Clc1c(c(Cl)c(Cl)c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl 1-octanol OCCCCCCCC 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decachlorobiphenyl&solvent=1-octanol O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.OCCCCCCCC 2012-05-16T19:28:46Z 322 deoxycorticosterone O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 1-octanol OCCCCCCCC 0.195 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=deoxycorticosterone&solvent=1-octanol c1ccc2c(c1)ccc3c2cc4ccc5ccccc5c4c3.OCCCCCCCC 2012-05-16T19:28:46Z 323 dibenz[a,h]anthracene c1ccc2c(c1)ccc3c2cc4ccc5ccccc5c4c3 1-octanol OCCCCCCCC 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenz[a,h]anthracene&solvent=1-octanol o2c1ccccc1c3c2cccc3.OCCCCCCCC 2012-05-16T19:28:46Z 324 dibenzofuran o2c1ccccc1c3c2cccc3 1-octanol OCCCCCCCC 0.537 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzofuran&solvent=1-octanol ClC5(Cl)[C@]3(Cl)C(\Cl)=C(\Cl)[C@@]5(Cl)[C@H]4[C@H]1C[C@H]([C@@H]2O[C@H]12)[C@@H]34.OCCCCCCCC 2012-05-16T19:28:46Z 325 dieldrin ClC5(Cl)[C@]3(Cl)C(\Cl)=C(\Cl)[C@@]5(Cl)[C@H]4[C@H]1C[C@H]([C@@H]2O[C@H]12)[C@@H]34 1-octanol OCCCCCCCC 0.107 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dieldrin&solvent=1-octanol O=[N+]([O-])c1cnc(n1C)C.OCCCCCCCC 2012-05-16T19:28:46Z 326 dimetridazole O=[N+]([O-])c1cnc(n1C)C 1-octanol OCCCCCCCC 0.078 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dimetridazole&solvent=1-octanol O=S(=O)(c1ccccc1)c2ccccc2.CCCCCCCCO 2012-05-16T19:28:46Z 327 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 1-octanol CCCCCCCCO 0.031 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=1-octanol c1ccc(cc1)Nc2ccccc2.OCCCCCCCC 2012-05-16T19:28:46Z 328 diphenylamine c1ccc(cc1)Nc2ccccc2 1-octanol OCCCCCCCC 1.072 amine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenylamine&solvent=1-octanol c1(ccccc1)C(c2ccccc2)C.OCCCCCCCC 2012-05-16T19:28:46Z 329 diphenylethane c1(ccccc1)C(c2ccccc2)C 1-octanol OCCCCCCCC 0.219 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenylethane&solvent=1-octanol Clc1ccc(NC(=O)N(C)C)cc1Cl.OCCCCCCCC 2012-05-16T19:28:46Z 330 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 1-octanol OCCCCCCCC 0.086 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=1-octanol c1c(c(cc(c1C)C)C)C.CCCCCCCCO 2012-05-16T19:28:46Z 331 durene c1c(c(cc(c1C)C)C)C 1-octanol CCCCCCCCO 0.760 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=1-octanol O=C(OCC)c1ccc(N)cc1.CCCCCCCCO 2012-05-16T19:28:46Z 332 ethyl 4-aminobenzoate O=C(OCC)c1ccc(N)cc1 1-octanol CCCCCCCCO 0.398 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethyl+4-aminobenzoate&solvent=1-octanol O=C(OCC)c1ccc(N)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 333 ethyl p-aminobenzoate O=C(OCC)c1ccc(N)cc1 1-octanol OCCCCCCCC 0.490 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethyl+p-aminobenzoate&solvent=1-octanol O=C(OCC)c1ccc(O)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 334 ethyl p-hydroxybenzoate O=C(OCC)c1ccc(O)cc1 1-octanol OCCCCCCCC 1.096 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethyl+p-hydroxybenzoate&solvent=1-octanol O=C(OCC)c1ccc(O)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 335 ethylparaben O=C(OCC)c1ccc(O)cc1 1-octanol OCCCCCCCC 1.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethylparaben&solvent=1-octanol Clc1cc(OP(=S)(OC)OC)c(Cl)cc1Cl.OCCCCCCCC 2012-05-16T19:28:46Z 336 fenchlorphos Clc1cc(OP(=S)(OC)OC)c(Cl)cc1Cl 1-octanol OCCCCCCCC 0.692 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fenchlorphos&solvent=1-octanol O=C(OCC)NCCOc2ccc(Oc1ccccc1)cc2.OCCCCCCCC 2012-05-16T19:28:46Z 337 fenoxycarb O=C(OCC)NCCOc2ccc(Oc1ccccc1)cc2 1-octanol OCCCCCCCC 0.399 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fenoxycarb&solvent=1-octanol O=C(Nc1ccccc1)N(C)C.OCCCCCCCC 2012-05-16T19:28:46Z 338 fenuron O=C(Nc1ccccc1)N(C)C 1-octanol OCCCCCCCC 0.170 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fenuron&solvent=1-octanol FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O.CCCCCCCCO 2012-05-16T19:28:46Z 339 flufenamic acid FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O 1-octanol CCCCCCCCO 0.549 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=flufenamic+acid&solvent=1-octanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.OCCCCCCCC 2012-05-16T19:28:46Z 340 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 1-octanol OCCCCCCCC 0.186 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=1-octanol c1ccc-2c(c1)Cc3c2cccc3.OCCCCCCCC 2012-05-16T19:28:46Z 341 fluorene c1ccc-2c(c1)Cc3c2cccc3 1-octanol OCCCCCCCC 0.243 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=1-octanol [O-][N+](=O)c2ccc(Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F)cc2.OCCCCCCCC 2012-05-16T19:28:46Z 342 fluorodifen [O-][N+](=O)c2ccc(Oc1ccc(cc1[N+]([O-])=O)C(F)(F)F)cc2 1-octanol OCCCCCCCC 0.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorodifen&solvent=1-octanol Fc2cc(ccc2c1ccccc1)C(C(=O)O)C.OCCCCCCCC 2012-05-16T19:28:46Z 343 flurbiprofen Fc2cc(ccc2c1ccccc1)C(C(=O)O)C 1-octanol OCCCCCCCC 0.631 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=flurbiprofen&solvent=1-octanol O=C(O)c1cc(O)ccc1O.OCCCCCCCC 2012-05-16T19:28:46Z 344 gentisic acid O=C(O)c1cc(O)ccc1O 1-octanol OCCCCCCCC 0.741 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=gentisic+acid&solvent=1-octanol ClC1/C=C\C2C3(Cl)C(\Cl)=C(\Cl)C(Cl)(C12)C3(Cl)Cl.OCCCCCCCC 2012-05-16T19:28:46Z 345 heptachlor ClC1/C=C\C2C3(Cl)C(\Cl)=C(\Cl)C(Cl)(C12)C3(Cl)Cl 1-octanol OCCCCCCCC 0.234 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=heptachlor&solvent=1-octanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.OCCCCCCCC 2012-05-16T19:28:46Z 346 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 1-octanol OCCCCCCCC 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=1-octanol ClC(Cl)(Cl)C(Cl)(Cl)Cl.OCCCCCCCC 2012-05-16T19:28:46Z 347 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl 1-octanol OCCCCCCCC 0.525 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=1-octanol c1(c(c(c(c(c1C)C)C)C)C)C.OCCCCCCCC 2012-05-16T19:28:46Z 348 hexamethylbenzene c1(c(c(c(c(c1C)C)C)C)C)C 1-octanol OCCCCCCCC 0.129 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexamethylbenzene&solvent=1-octanol O=C(O)C(c1ccc(cc1)CC(C)C)C.OCCCCCCCC 2012-05-16T19:28:46Z 349 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C 1-octanol OCCCCCCCC 1.485 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=1-octanol [O-][N+](=O)c1cnc(n1C)C(C)C.OCCCCCCCC 2012-05-16T19:28:46Z 350 ipronidazole [O-][N+](=O)c1cnc(n1C)C(C)C 1-octanol OCCCCCCCC 0.871 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ipronidazole&solvent=1-octanol Clc1nc(OP(=S)(OCC)OCC)nn1C(C)C.OCCCCCCCC 2012-05-16T19:28:46Z 351 isazophos Clc1nc(OP(=S)(OCC)OCC)nn1C(C)C 1-octanol OCCCCCCCC 3.162 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isazophos&solvent=1-octanol CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.OCCCCCCCC 2012-05-16T19:28:46Z 352 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O 1-octanol OCCCCCCCC 0.590 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=1-octanol Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl.OCCCCCCCC 2012-05-16T19:28:46Z 353 lindane Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl 1-octanol OCCCCCCCC 0.182 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lindane&solvent=1-octanol O=C(O)c1cc(Br)ccc1.OCCCCCCCC 2012-05-16T19:28:46Z 354 m-bromobenzoic acid O=C(O)c1cc(Br)ccc1 1-octanol OCCCCCCCC 0.851 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=m-bromobenzoic+acid&solvent=1-octanol O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.CCCCCCCCO 2012-05-16T19:28:46Z 355 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C 1-octanol CCCCCCCCO 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=1-octanol O=C(N(c1c(cccc1C)C)C(C(=O)OC)C)COC.OCCCCCCCC 2012-05-16T19:28:46Z 356 metalaxyl O=C(N(c1c(cccc1C)C)C(C(=O)OC)C)COC 1-octanol OCCCCCCCC 0.468 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=metalaxyl&solvent=1-octanol O=C(OC)c1ccc(N)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 357 methyl 4-aminobenzoate O=C(OC)c1ccc(N)cc1 1-octanol OCCCCCCCC 0.295 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-aminobenzoate&solvent=1-octanol COC(=O)c1ccc(cc1)O.OCCCCCCCC 2012-05-16T19:28:46Z 358 methylparaben COC(=O)c1ccc(cc1)O 1-octanol OCCCCCCCC 0.817 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=1-octanol O=C4\C=C3/[C@]([C@H]2CC[C@]1([C@@H](CC[C@@]1(O)C)[C@@H]2CC3)C)(C)CC4.OCCCCCCCC 2012-05-16T19:28:46Z 359 methyltestosterone O=C4\C=C3/[C@]([C@H]2CC[C@]1([C@@H](CC[C@@]1(O)C)[C@@H]2CC3)C)(C)CC4 1-octanol OCCCCCCCC 0.355 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyltestosterone&solvent=1-octanol CCc1cccc(c1N(C(C)COC)C(=O)CCl)C.OCCCCCCCC 2012-05-16T19:28:46Z 360 metolachlor CCc1cccc(c1N(C(C)COC)C(=O)CCl)C 1-octanol OCCCCCCCC 2.951 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=metolachlor&solvent=1-octanol Clc1cc(ccc1OC)NC(=O)N(C)C.OCCCCCCCC 2012-05-16T19:28:46Z 361 metoxuron Clc1cc(ccc1OC)NC(=O)N(C)C 1-octanol OCCCCCCCC 0.087 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=metoxuron&solvent=1-octanol [O-][N+](=O)c1cnc(n1CCO)C.OCCCCCCCC 2012-05-16T19:28:46Z 362 metronidazole [O-][N+](=O)c1cnc(n1CCO)C 1-octanol OCCCCCCCC 0.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=metronidazole&solvent=1-octanol ClC53C1(Cl)C4(Cl)C2(Cl)C1(Cl)C(Cl)(Cl)C5(Cl)C2(Cl)C3(Cl)C4(Cl)Cl.OCCCCCCCC 2012-05-16T19:28:46Z 363 mirex ClC53C1(Cl)C4(Cl)C2(Cl)C1(Cl)C(Cl)(Cl)C5(Cl)C2(Cl)C3(Cl)C4(Cl)Cl 1-octanol OCCCCCCCC 0.309 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=mirex&solvent=1-octanol Clc1ccc(NC(=O)N(C)C)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 364 monuron Clc1ccc(NC(=O)N(C)C)cc1 1-octanol OCCCCCCCC 0.091 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=1-octanol C1(=CC=CC=C1)N(O)C(C2=CC(=C(C=C2)C)[N+](=O)[O-])=O.CCCCCCCCO 2012-05-16T19:28:46Z 365 N-phenyl-4-methyl-3-nitrobenzohydroxamic acid C1(=CC=CC=C1)N(O)C(C2=CC(=C(C=C2)C)[N+](=O)[O-])=O 1-octanol CCCCCCCCO 1.169 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenyl-4-methyl-3-nitrobenzohydroxamic+acid&solvent=1-octanol [O-][N+](=O)c2ccc(C(=O)N(O)c1ccccc1)cc2.CCCCCCCCO 2012-05-16T19:28:46Z 366 N-phenyl-4-nitrobenzohydroxamic acid [O-][N+](=O)c2ccc(C(=O)N(O)c1ccccc1)cc2 1-octanol CCCCCCCCO 1.119 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenyl-4-nitrobenzohydroxamic+acid&solvent=1-octanol O=C(N(O)c1ccccc1)c2ccccc2.CCCCCCCCO 2012-05-16T19:28:46Z 367 N-phenylbenzohydroxamic acid O=C(N(O)c1ccccc1)c2ccccc2 1-octanol CCCCCCCCO 1.153 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenylbenzohydroxamic+acid&solvent=1-octanol c1ccc2ccccc2c1.OCCCCCCCC 2012-05-16T19:28:46Z 368 naphthalene c1ccc2ccccc2c1 1-octanol OCCCCCCCC 0.573 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=1-octanol O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.OCCCCCCCC 2012-05-16T19:28:46Z 369 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C 1-octanol OCCCCCCCC 0.112 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=1-octanol FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.OCCCCCCCC 2012-05-16T19:28:46Z 370 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O 1-octanol OCCCCCCCC 0.066 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=1-octanol O=C(O)c1ccccc1Br.OCCCCCCCC 2012-05-16T19:28:46Z 371 o-bromobenzoic acid O=C(O)c1ccccc1Br 1-octanol OCCCCCCCC 0.759 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=o-bromobenzoic+acid&solvent=1-octanol Clc1ccccc1C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl.OCCCCCCCC 2012-05-16T19:28:46Z 372 o;p-DDT Clc1ccccc1C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl 1-octanol OCCCCCCCC 0.324 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=o;p-DDT&solvent=1-octanol O=C(O)c1ccc(Br)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 373 p-bromobenzoic acid O=C(O)c1ccc(Br)cc1 1-octanol OCCCCCCCC 0.078 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-bromobenzoic+acid&solvent=1-octanol Cc1ccc(cc1)C(=O)O.OCCCCCCCC 2012-05-16T19:28:46Z 374 p-toluic acid Cc1ccc(cc1)C(=O)O 1-octanol OCCCCCCCC 0.479 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-toluic+acid&solvent=1-octanol Clc2ccc(c1ccc(Cl)cc1)cc2.OCCCCCCCC 2012-05-16T19:28:46Z 375 PCB-15 Clc2ccc(c1ccc(Cl)cc1)cc2 1-octanol OCCCCCCCC 0.129 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=PCB-15&solvent=1-octanol Clc2cc(c1ccccc1)c(Cl)cc2Cl.OCCCCCCCC 2012-05-16T19:28:46Z 376 PCB-29 Clc2cc(c1ccccc1)c(Cl)cc2Cl 1-octanol OCCCCCCCC 0.178 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=PCB-29&solvent=1-octanol Clc2ccccc2c1ccccc1.OCCCCCCCC 2012-05-16T19:28:46Z 377 PCB-3 Clc2ccccc2c1ccccc1 1-octanol OCCCCCCCC 0.603 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=PCB-3&solvent=1-octanol Clc2ccc(Cl)cc2c1c(Cl)ccc(Cl)c1.OCCCCCCCC 2012-05-16T19:28:46Z 378 PCB-52 Clc2ccc(Cl)cc2c1c(Cl)ccc(Cl)c1 1-octanol OCCCCCCCC 0.234 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=PCB-52&solvent=1-octanol Clc1c(cc(Cl)c(Cl)c1Cl)c2ccccc2.OCCCCCCCC 2012-05-16T19:28:46Z 379 PCB-61 Clc1c(cc(Cl)c(Cl)c1Cl)c2ccccc2 1-octanol OCCCCCCCC 0.141 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=PCB-61&solvent=1-octanol Clc1cc(Cl)c(Cl)c(Cl)c1Cl.OCCCCCCCC 2012-05-16T19:28:46Z 380 pentachlorobenzene Clc1cc(Cl)c(Cl)c(Cl)c1Cl 1-octanol OCCCCCCCC 0.255 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pentachlorobenzene&solvent=1-octanol Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl.OCCCCCCCC 2012-05-16T19:28:46Z 381 pentachlorophenol Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl 1-octanol OCCCCCCCC 0.776 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pentachlorophenol&solvent=1-octanol c1cc2cccc3c2c(c1)c4cccc5c4c3ccc5.OCCCCCCCC 2012-05-16T19:28:46Z 382 perylene c1cc2cccc3c2c(c1)c4cccc5c4c3ccc5 1-octanol OCCCCCCCC 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=perylene&solvent=1-octanol O=C(Nc1ccc(OCC)cc1)C.OCCCCCCCC 2012-05-16T19:28:46Z 383 phenacetin O=C(Nc1ccc(OCC)cc1)C 1-octanol OCCCCCCCC 0.145 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=1-octanol c1ccc2c(c1)ccc3c2cccc3.OCCCCCCCC 2012-05-16T19:28:46Z 384 phenanthrene c1ccc2c(c1)ccc3c2cccc3 1-octanol OCCCCCCCC 0.331 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=1-octanol O=C1NC(=O)NC(=O)C1(c2ccccc2)CC.OCCCCCCCC 2012-05-16T19:28:46Z 385 phenobarbital O=C1NC(=O)NC(=O)C1(c2ccccc2)CC 1-octanol OCCCCCCCC 0.081 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenobarbital&solvent=1-octanol c1ccc(cc1)O.OCCCCCCCC 2012-05-16T19:28:46Z 386 phenol c1ccc(cc1)O 1-octanol OCCCCCCCC 8.710 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenol&solvent=1-octanol c1ccc2c(c1)Nc3ccccc3S2.CCCCCCCCO 2012-05-16T19:28:46Z 387 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 1-octanol CCCCCCCCO 0.117 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=1-octanol Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5.OCCCCCCCC 2012-05-16T19:28:46Z 388 pimozide Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5 1-octanol OCCCCCCCC 0.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimozide&solvent=1-octanol OC(CNC(C)C)COc1cccc2c1ccn2.CCCCCCCCO 2012-05-16T19:28:46Z 389 pindolol OC(CNC(C)C)COc1cccc2c1ccn2 1-octanol CCCCCCCCO 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pindolol&solvent=1-octanol O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C.OCCCCCCCC 2012-05-16T19:28:46Z 390 prednisolone O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C 1-octanol OCCCCCCCC 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisolone&solvent=1-octanol [O-][N+](=O)c2c(N(CCC)CC1CC1)c([N+]([O-])=O)cc(c2)C(F)(F)F.OCCCCCCCC 2012-05-16T19:28:46Z 391 profluralin [O-][N+](=O)c2c(N(CCC)CC1CC1)c([N+]([O-])=O)cc(c2)C(F)(F)F 1-octanol OCCCCCCCC 0.631 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=profluralin&solvent=1-octanol O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)C)CC[C@H]3[C@@H]1CC2)C)(C)CC4.OCCCCCCCC 2012-05-16T19:28:46Z 392 progesterone O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)C)CC[C@H]3[C@@H]1CC2)C)(C)CC4 1-octanol OCCCCCCCC 0.195 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=progesterone&solvent=1-octanol O=C(OCCC)c1ccc(O)cc1.OCCCCCCCC 2012-05-16T19:28:46Z 393 propylparaben O=C(OCCC)c1ccc(O)cc1 1-octanol OCCCCCCCC 1.778 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=propylparaben&solvent=1-octanol c1cc2ccc3cccc4c3c2c(c1)cc4.OCCCCCCCC 2012-05-16T19:28:46Z 394 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 1-octanol OCCCCCCCC 0.123 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=1-octanol O=C(c1ccccc1O)N.OCCCCCCCC 2012-05-16T19:28:46Z 395 salicylamide O=C(c1ccccc1O)N 1-octanol OCCCCCCCC 0.161 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=1-octanol O=C(O)c1ccccc1O.OCCCCCCCC 2012-05-16T19:28:46Z 396 salicylic acid O=C(O)c1ccccc1O 1-octanol OCCCCCCCC 1.288 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=1-octanol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CCCCCCCCO 2012-05-16T19:28:46Z 397 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 1-octanol CCCCCCCCO 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=1-octanol S(c1nc(nc(n1)NC(C)(C)C)NCC)C.OCCCCCCCC 2012-05-16T19:28:46Z 398 terbutryn S(c1nc(nc(n1)NC(C)(C)C)NCC)C 1-octanol OCCCCCCCC 0.537 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=terbutryn&solvent=1-octanol O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](O)CC[C@H]3[C@@H]1CC2)C)(C)CC4.OCCCCCCCC 2012-05-16T19:28:46Z 399 testosterone O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](O)CC[C@H]3[C@@H]1CC2)C)(C)CC4 1-octanol OCCCCCCCC 0.324 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=testosterone&solvent=1-octanol Cn1c2c(c(=O)n(c1=O)C)[nH]cn2.OCCCCCCCC 2012-05-16T19:28:46Z 400 theophylline Cn1c2c(c(=O)n(c1=O)C)[nH]cn2 1-octanol OCCCCCCCC 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=theophylline&solvent=1-octanol S1c3c(Sc2c1cccc2)cccc3.OCCCCCCCC 2012-05-16T19:28:46Z 401 thianthrene S1c3c(Sc2c1cccc2)cccc3 1-octanol OCCCCCCCC 0.035 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=1-octanol O=C1c3c(Sc2c1cccc2)cccc3.OCCCCCCCC 2012-05-16T19:28:46Z 402 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 1-octanol OCCCCCCCC 0.018 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=1-octanol c1ccc(cc1)/C=C/c2ccccc2.OCCCCCCCC 2012-05-16T19:28:46Z 403 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 1-octanol OCCCCCCCC 0.079 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=1-octanol Clc4ccccc4C/2=N/Cc1nnc(n1c3c\2cc(Cl)cc3)C.OCCCCCCCC 2012-05-16T19:28:46Z 404 triazolam Clc4ccccc4C/2=N/Cc1nnc(n1c3c\2cc(Cl)cc3)C 1-octanol OCCCCCCCC 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triazolam&solvent=1-octanol c1ccc2c(c1)c3ccccc3c4c2cccc4.OCCCCCCCC 2012-05-16T19:28:46Z 405 triphenylene c1ccc2c(c1)c3ccccc3c4c2cccc4 1-octanol OCCCCCCCC 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triphenylene&solvent=1-octanol O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC.OCCCCCCCC 2012-05-16T19:28:46Z 406 Ugi product 176C (UC) O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC 1-octanol OCCCCCCCC 0.010 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+176C+(UC)&solvent=1-octanol O2c1ccccc1Cc3c2cccc3.OCCCCCCCC 2012-05-16T19:28:46Z 407 xanthene O2c1ccccc1Cc3c2cccc3 1-octanol OCCCCCCCC 0.240 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=1-octanol [O-][N+](=O)c2cccc1ccccc12.OCCCCC 2012-05-16T19:28:46Z 408 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 1-pentanol OCCCCC 0.387 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=1-pentanol O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.OCCCCC 2012-05-16T19:28:46Z 409 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O 1-pentanol OCCCCC 0.740 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=1-pentanol O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.OCCCCC 2012-05-16T19:28:46Z 410 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC 1-pentanol OCCCCC 0.055 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=1-pentanol O=C(O)c1ccccc1OC.OCCCCC 2012-05-16T19:28:46Z 411 2-methoxybenzoic acid O=C(O)c1ccccc1OC 1-pentanol OCCCCC 0.470 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=1-pentanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.OCCCCC 2012-05-16T19:28:46Z 412 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 1-pentanol OCCCCC 0.150 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=1-pentanol O=C(O)c1ccccc1C.OCCCCC 2012-05-16T19:28:46Z 413 2-methylbenzoic acid O=C(O)c1ccccc1C 1-pentanol OCCCCC 1.490 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=1-pentanol O=C(O)c1cc(Cl)ccc1.OCCCCC 2012-05-16T19:28:46Z 414 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 1-pentanol OCCCCC 0.926 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=1-pentanol O=C(O)c1cc(ccc1)C.OCCCCC 2012-05-16T19:28:46Z 415 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 1-pentanol OCCCCC 1.607 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=1-pentanol [O-][N+](=O)C1=N\C(=O)\N=N1.OCCCCC 2012-05-16T19:28:46Z 416 3-nitro-1,2,4-triazol-5-one [O-][N+](=O)C1=N\C(=O)\N=N1 1-pentanol OCCCCC 0.043 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitro-1,2,4-triazol-5-one&solvent=1-pentanol O=[N+]([O-])c1cc(C(=O)O)ccc1.OCCCCC 2012-05-16T19:28:46Z 417 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 1-pentanol OCCCCC 1.308 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=1-pentanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.OCCCCC 2012-05-16T19:28:46Z 418 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 1-pentanol OCCCCC 0.289 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=1-pentanol O=C(O)c1ccc(N)cc1.OCCCCC 2012-05-16T19:28:46Z 419 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 1-pentanol OCCCCC 0.228 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=1-pentanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OCCCCC 2012-05-16T19:28:46Z 420 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 1-pentanol OCCCCC 0.270 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=1-pentanol O=C(O)c1ccc(Cl)cc1.OCCCCC 2012-05-16T19:28:46Z 421 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 1-pentanol OCCCCC 0.140 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=1-pentanol O=C(O)c1ccc(O)cc1.OCCCCC 2012-05-16T19:28:46Z 422 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 1-pentanol OCCCCC 0.839 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=1-pentanol COc1ccc(cc1)C(O)=O.OCCCCC 2012-05-16T19:28:46Z 423 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 1-pentanol OCCCCC 0.100 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=1-pentanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OCCCCC 2012-05-16T19:28:46Z 424 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 1-pentanol OCCCCC 0.090 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=1-pentanol c1c[n+](ccc1[N+](=O)[O-])[O-].OCCCCC 2012-05-16T19:28:46Z 425 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 1-pentanol OCCCCC 0.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=1-pentanol O=C3c1ccccc1c2c3cccc2.OCCCCC 2012-05-16T19:28:46Z 426 9-fluorenone O=C3c1ccccc1c2c3cccc2 1-pentanol OCCCCC 0.410 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=1-pentanol c1cc2cccc3c2c(c1)CC3.OCCCCC 2012-05-16T19:28:46Z 427 acenaphthene c1cc2cccc3c2c(c1)CC3 1-pentanol OCCCCC 0.290 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=1-pentanol O=C(Nc1ccc(O)cc1)C.OCCCCC 2012-05-16T19:28:46Z 428 acetaminophen O=C(Nc1ccc(O)cc1)C 1-pentanol OCCCCC 0.449 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=1-pentanol O=C(Oc1ccccc1C(=O)O)C.OCCCCC 2012-05-16T19:28:46Z 429 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 1-pentanol OCCCCC 0.360 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=1-pentanol c1ccc2cc3ccccc3cc2c1.OCCCCC 2012-05-16T19:28:46Z 430 anthracene c1ccc2cc3ccccc3cc2c1 1-pentanol OCCCCC 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=1-pentanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.OCCCCC 2012-05-16T19:28:46Z 431 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 1-pentanol OCCCCC 0.138 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=1-pentanol O=C(O)c1ccccc1.OCCCCC 2012-05-16T19:28:46Z 432 benzoic acid O=C(O)c1ccccc1 1-pentanol OCCCCC 2.073 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=1-pentanol c1ccc(cc1)C(C(=O)c2ccccc2)O.OCCCCC 2012-05-16T19:28:46Z 433 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 1-pentanol OCCCCC 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=1-pentanol O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5.OCCCCC 2012-05-16T19:28:46Z 434 betulinic acid O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5 1-pentanol OCCCCC 0.024 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=betulinic+acid&solvent=1-pentanol c1ccc(cc1)c2ccccc2.OCCCCC 2012-05-16T19:28:46Z 435 biphenyl c1ccc(cc1)c2ccccc2 1-pentanol OCCCCC 0.676 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=1-pentanol O=C(OCCCC)c1ccc(O)cc1.OCCCCC 2012-05-16T19:28:46Z 436 butylparaben O=C(OCCCC)c1ccc(O)cc1 1-pentanol OCCCCC 2.736 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butylparaben&solvent=1-pentanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.CCCCCO 2012-05-16T19:28:46Z 437 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 1-pentanol CCCCCO 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=1-pentanol O=C(O)C=Cc1ccccc1.CCCCCO 2012-05-16T19:28:46Z 438 cinnamic acid O=C(O)C=Cc1ccccc1 1-pentanol CCCCCO 0.619 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=1-pentanol O=S(=O)(c1ccccc1)c2ccccc2.OCCCCC 2012-05-16T19:28:46Z 439 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 1-pentanol OCCCCC 0.049 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=1-pentanol Clc1ccc(NC(=O)N(C)C)cc1Cl.OCCCCC 2012-05-16T19:28:46Z 440 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 1-pentanol OCCCCC 0.128 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=1-pentanol c1c(c(cc(c1C)C)C)C.OCCCCC 2012-05-16T19:28:46Z 441 durene c1c(c(cc(c1C)C)C)C 1-pentanol OCCCCC 0.641 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=1-pentanol O=C(OCC)c1ccc(O)cc1.OCCCCC 2012-05-16T19:28:46Z 442 ethylparaben O=C(OCC)c1ccc(O)cc1 1-pentanol OCCCCC 1.613 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethylparaben&solvent=1-pentanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.OCCCCC 2012-05-16T19:28:46Z 443 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 1-pentanol OCCCCC 0.132 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=1-pentanol c1ccc-2c(c1)Cc3c2cccc3.OCCCCC 2012-05-16T19:28:46Z 444 fluorene c1ccc-2c(c1)Cc3c2cccc3 1-pentanol OCCCCC 0.209 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=1-pentanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.OCCCCC 2012-05-16T19:28:46Z 445 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 1-pentanol OCCCCC 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=1-pentanol O=C(O)C(c1ccc(cc1)CC(C)C)C.OCCCCC 2012-05-16T19:28:46Z 446 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C 1-pentanol OCCCCC 1.562 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=1-pentanol CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.OCCCCC 2012-05-16T19:28:46Z 447 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O 1-pentanol OCCCCC 0.667 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=1-pentanol O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.OCCCCC 2012-05-16T19:28:46Z 448 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C 1-pentanol OCCCCC 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=1-pentanol COC(=O)c1ccc(cc1)O.OCCCCC 2012-05-16T19:28:46Z 449 methylparaben COC(=O)c1ccc(cc1)O 1-pentanol OCCCCC 1.359 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=1-pentanol Clc1ccc(NC(=O)N(C)C)cc1.OCCCCC 2012-05-16T19:28:46Z 450 monuron Clc1ccc(NC(=O)N(C)C)cc1 1-pentanol OCCCCC 0.135 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=1-pentanol O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.OCCCCC 2012-05-16T19:28:46Z 451 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C 1-pentanol OCCCCC 0.213 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=1-pentanol FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.OCCCCC 2012-05-16T19:28:46Z 452 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O 1-pentanol OCCCCC 0.167 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=1-pentanol CCCCCCCCCCCCCCCC(=O)O.OCCCCC 2012-05-16T19:28:46Z 453 palmitic acid CCCCCCCCCCCCCCCC(=O)O 1-pentanol OCCCCC 1.232 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=palmitic+acid&solvent=1-pentanol O=C(Nc1ccc(OCC)cc1)C.OCCCCC 2012-05-16T19:28:46Z 454 phenacetin O=C(Nc1ccc(OCC)cc1)C 1-pentanol OCCCCC 0.181 Non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=1-pentanol c1ccc2c(c1)ccc3c2cccc3.OCCCCC 2012-05-16T19:28:46Z 455 phenanthrene c1ccc2c(c1)ccc3c2cccc3 1-pentanol OCCCCC 0.227 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=1-pentanol c1ccc2c(c1)Nc3ccccc3S2.OCCCCC 2012-05-16T19:28:46Z 456 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 1-pentanol OCCCCC 0.122 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=1-pentanol O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2.OCCCCC 2012-05-16T19:28:46Z 457 phloretin O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2 1-pentanol OCCCCC 0.282 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phloretin&solvent=1-pentanol Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5.OCCCCC 2012-05-16T19:28:46Z 458 pimozide Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5 1-pentanol OCCCCC 0.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimozide&solvent=1-pentanol O=C(OCCC)c1ccc(O)cc1.OCCCCC 2012-05-16T19:28:46Z 459 propylparaben O=C(OCCC)c1ccc(O)cc1 1-pentanol OCCCCC 1.780 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=propylparaben&solvent=1-pentanol c1cc2ccc3cccc4c3c2c(c1)cc4.OCCCCC 2012-05-16T19:28:46Z 460 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 1-pentanol OCCCCC 0.085 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=1-pentanol O=C(c1ccccc1O)N.OCCCCC 2012-05-16T19:28:46Z 461 salicylamide O=C(c1ccccc1O)N 1-pentanol OCCCCC 0.293 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=1-pentanol O=C(O)c1ccccc1O.OCCCCC 2012-05-16T19:28:46Z 462 salicylic acid O=C(O)c1ccccc1O 1-pentanol OCCCCC 1.470 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=1-pentanol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.OCCCCC 2012-05-16T19:28:46Z 463 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 1-pentanol OCCCCC 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=1-pentanol S1c3c(Sc2c1cccc2)cccc3.OCCCCC 2012-05-16T19:28:46Z 464 thianthrene S1c3c(Sc2c1cccc2)cccc3 1-pentanol OCCCCC 0.028 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=1-pentanol O=C1c3c(Sc2c1cccc2)cccc3.OCCCCC 2012-05-16T19:28:46Z 465 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 1-pentanol OCCCCC 0.014 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=1-pentanol C(=S)(N)N.OCCCCC 2012-05-16T19:28:46Z 466 thiourea C(=S)(N)N 1-pentanol OCCCCC 0.095 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiourea&solvent=1-pentanol c1ccc(cc1)/C=C/c2ccccc2.OCCCCC 2012-05-16T19:28:46Z 467 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 1-pentanol OCCCCC 0.063 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=1-pentanol O2c1ccccc1Cc3c2cccc3.OCCCCC 2012-05-16T19:28:46Z 468 xanthene O2c1ccccc1Cc3c2cccc3 1-pentanol OCCCCC 0.200 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=1-pentanol O=C(O)Cn1nnnc1.CCCO 2012-05-16T19:28:46Z 469 1-H-tetrazole-1-acetic acid O=C(O)Cn1nnnc1 1-propanol CCCO 0.615 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-H-tetrazole-1-acetic+acid&solvent=1-propanol [O-][N+](=O)c2cccc1ccccc12.CCCO 2012-05-16T19:28:46Z 470 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 1-propanol CCCO 0.382 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=1-propanol n1cnnc1.CCCO 2012-05-16T19:28:46Z 471 1,2,4-triazole n1cnnc1 1-propanol CCCO 2.326 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,4-triazole&solvent=1-propanol O=C(OCC)C1C(=O)CC(C(=O)C1)C(=O)OCC.CCCO 2012-05-16T19:28:46Z 472 1,4-cyclohexanedione-2,5-dicarboxylate O=C(OCC)C1C(=O)CC(C(=O)C1)C(=O)OCC 1-propanol CCCO 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-cyclohexanedione-2,5-dicarboxylate&solvent=1-propanol c1c(cc(c(c1Cl)OCCBr)Cl)Cl.CCCO 2012-05-16T19:28:46Z 473 2-(2,4,6-trichlorophenoxy)ethyl bromide c1c(cc(c(c1Cl)OCCBr)Cl)Cl 1-propanol CCCO 0.169 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(2,4,6-trichlorophenoxy)ethyl+bromide&solvent=1-propanol O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC.CCCO 2012-05-16T19:28:46Z 474 2-(4-ethylbenzoyl)benzoic acid O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC 1-propanol CCCO 1.254 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(4-ethylbenzoyl)benzoic+acid&solvent=1-propanol O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.OCCC 2012-05-16T19:28:46Z 475 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O 1-propanol OCCC 0.950 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=1-propanol O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.CCCO 2012-05-16T19:28:46Z 476 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC 1-propanol CCCO 0.035 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=1-propanol O=C(O)c1ccccc1OC.OCCC 2012-05-16T19:28:46Z 477 2-methoxybenzoic acid O=C(O)c1ccccc1OC 1-propanol OCCC 0.760 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=1-propanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.CCCO 2012-05-16T19:28:46Z 478 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 1-propanol CCCO 0.217 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=1-propanol n2c1ccccc1nc2C.CCCO 2012-05-16T19:28:46Z 479 2-methylbenzimidazole n2c1ccccc1nc2C 1-propanol CCCO 1.896 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzimidazole&solvent=1-propanol O=C(O)c1ccccc1C.OCCC 2012-05-16T19:28:46Z 480 2-methylbenzoic acid O=C(O)c1ccccc1C 1-propanol OCCC 1.770 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=1-propanol O=C(O)c1cc(Cl)ccc1.CCCO 2012-05-16T19:28:46Z 481 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 1-propanol CCCO 1.100 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=1-propanol O=C(O)c1cc(ccc1)C.CCCO 2012-05-16T19:28:46Z 482 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 1-propanol CCCO 1.962 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=1-propanol [O-][N+](=O)C1=N\C(=O)\N=N1.CCCO 2012-05-16T19:28:46Z 483 3-nitro-1,2,4-triazol-5-one [O-][N+](=O)C1=N\C(=O)\N=N1 1-propanol CCCO 0.089 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitro-1,2,4-triazol-5-one&solvent=1-propanol O=[N+]([O-])c1cc(C(=O)O)ccc1.CCCO 2012-05-16T19:28:46Z 484 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 1-propanol CCCO 1.834 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=1-propanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.CCCO 2012-05-16T19:28:46Z 485 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 1-propanol CCCO 0.470 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=1-propanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OCCC 2012-05-16T19:28:46Z 486 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 1-propanol OCCC 0.370 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=1-propanol O=C(O)c1ccc(Cl)cc1.CCCO 2012-05-16T19:28:46Z 487 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 1-propanol CCCO 0.156 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=1-propanol Clc2ccc(c1ccccc1)cc2.CCCO 2012-05-16T19:28:46Z 488 4-chlorobiphenyl Clc2ccc(c1ccccc1)cc2 1-propanol CCCO 0.550 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobiphenyl&solvent=1-propanol O=C(O)c1ccc(O)cc1.CCCO 2012-05-16T19:28:46Z 489 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 1-propanol CCCO 1.396 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=1-propanol COc1ccc(cc1)C(O)=O.OCCC 2012-05-16T19:28:46Z 490 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 1-propanol OCCC 0.130 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=1-propanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OCCC 2012-05-16T19:28:46Z 491 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 1-propanol OCCC 0.110 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=1-propanol c1c[n+](ccc1[N+](=O)[O-])[O-].CCCO 2012-05-16T19:28:46Z 492 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 1-propanol CCCO 0.038 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=1-propanol O=C3c1ccccc1c2c3cccc2.OCCC 2012-05-16T19:28:46Z 493 9-fluorenone O=C3c1ccccc1c2c3cccc2 1-propanol OCCC 0.380 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=1-propanol c1cc2cccc3c2c(c1)CC3.CCCO 2012-05-16T19:28:46Z 494 acenaphthene c1cc2cccc3c2c(c1)CC3 1-propanol CCCO 0.221 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=1-propanol O=C(Nc1ccc(O)cc1)C.CCCO 2012-05-16T19:28:46Z 495 acetaminophen O=C(Nc1ccc(O)cc1)C 1-propanol CCCO 0.692 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=1-propanol O=C(Oc1ccccc1C(=O)O)C.CCCO 2012-05-16T19:28:46Z 496 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 1-propanol CCCO 0.632 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=1-propanol C(CCC(=O)O)CC(=O)O.CCCO 2012-05-16T19:28:46Z 497 adipic acid C(CCC(=O)O)CC(=O)O 1-propanol CCCO 0.371 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adipic+acid&solvent=1-propanol c1ccc2cc3ccccc3cc2c1.CCCO 2012-05-16T19:28:46Z 498 anthracene c1ccc2cc3ccccc3cc2c1 1-propanol CCCO 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=1-propanol Oc1ccc(cc1OC)C(C)=O.OCCC 2012-05-16T19:28:46Z 499 apocynin Oc1ccc(cc1OC)C(C)=O 1-propanol OCCC 0.316 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=apocynin&solvent=1-propanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.CCCO 2012-05-16T19:28:46Z 500 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 1-propanol CCCO 0.155 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=1-propanol c1ccc2c(c1)[nH]cn2.CCCO 2012-05-16T19:28:46Z 501 benzimidazole c1ccc2c(c1)[nH]cn2 1-propanol CCCO 1.574 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=1-propanol O=C(O)c1ccccc1.OCCC 2012-05-16T19:28:46Z 502 benzoic acid O=C(O)c1ccccc1 1-propanol OCCC 2.150 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=1-propanol c1ccc(cc1)C(C(=O)c2ccccc2)O.CCCO 2012-05-16T19:28:46Z 503 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 1-propanol CCCO 0.031 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=1-propanol O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5.CCCO 2012-05-16T19:28:46Z 504 betulinic acid O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5 1-propanol CCCO 0.023 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=betulinic+acid&solvent=1-propanol c1ccc(cc1)c2ccccc2.CCCO 2012-05-16T19:28:46Z 505 biphenyl c1ccc(cc1)c2ccccc2 1-propanol CCCO 0.583 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=1-propanol O=C(OCCCC)c1ccc(O)cc1.CCCO 2012-05-16T19:28:46Z 506 butylparaben O=C(OCCCC)c1ccc(O)cc1 1-propanol CCCO 3.292 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butylparaben&solvent=1-propanol O=C(O)C1CCC(C(=O)O)(C)C1(C)C.OCCC 2012-05-16T19:28:46Z 507 camphoric acid O=C(O)C1CCC(C(=O)O)(C)C1(C)C 1-propanol OCCC 1.720 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=camphoric+acid&solvent=1-propanol O=C1NCCCCC1.CCCO 2012-05-16T19:28:46Z 508 caprolactam O=C1NCCCCC1 1-propanol CCCO 3.354 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caprolactam&solvent=1-propanol c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N.CCCO 2012-05-16T19:28:46Z 509 carbamazepine c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N 1-propanol CCCO 0.067 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbamazepine&solvent=1-propanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.CCCO 2012-05-16T19:28:46Z 510 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 1-propanol CCCO 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=1-propanol C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C.CCCO 2012-05-16T19:28:46Z 511 cholesterol C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C 1-propanol CCCO 0.138 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cholesterol&solvent=1-propanol O=C(O)C=Cc1ccccc1.CCCO 2012-05-16T19:28:46Z 512 cinnamic acid O=C(O)C=Cc1ccccc1 1-propanol CCCO 0.929 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=1-propanol O=Cc2cc(c1cc(cc(OC)c1O)C=O)c(O)c(OC)c2.OCCC 2012-05-16T19:28:46Z 513 dehydrodivanillin O=Cc2cc(c1cc(cc(OC)c1O)C=O)c(O)c(OC)c2 1-propanol OCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dehydrodivanillin&solvent=1-propanol O=C(OC)c2cc(c1cc(cc(OC)c1O)C(=O)OC)c(O)c(OC)c2.OCCC 2012-05-16T19:28:46Z 514 di(methyl vanillate) O=C(OC)c2cc(c1cc(cc(OC)c1O)C(=O)OC)c(O)c(OC)c2 1-propanol OCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=di(methyl+vanillate)&solvent=1-propanol O=C(c2cc(c1cc(cc(OC)c1O)C(=O)C)c(O)c(OC)c2)C.OCCC 2012-05-16T19:28:46Z 515 diapocynin O=C(c2cc(c1cc(cc(OC)c1O)C(=O)C)c(O)c(OC)c2)C 1-propanol OCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diapocynin&solvent=1-propanol O=C(OC)\C=C\C(=O)OC.CCCO 2012-05-16T19:28:46Z 516 dimethyl fumarate O=C(OC)\C=C\C(=O)OC 1-propanol CCCO 0.066 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dimethyl+fumarate&solvent=1-propanol c1ccc(cc1)OC(=O)Oc2ccccc2.CCCO 2012-05-16T19:28:46Z 517 diphenyl carbonate c1ccc(cc1)OC(=O)Oc2ccccc2 1-propanol CCCO 0.201 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+carbonate&solvent=1-propanol O=S(=O)(c1ccccc1)c2ccccc2.CCCO 2012-05-16T19:28:46Z 518 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 1-propanol CCCO 0.069 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=1-propanol Clc1ccc(NC(=O)N(C)C)cc1Cl.CCCO 2012-05-16T19:28:46Z 519 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 1-propanol CCCO 0.141 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=1-propanol c1c(c(cc(c1C)C)C)C.CCCO 2012-05-16T19:28:46Z 520 durene c1c(c(cc(c1C)C)C)C 1-propanol CCCO 0.476 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=1-propanol O=C(OCC)c1ccc(O)cc1.CCCO 2012-05-16T19:28:46Z 521 ethylparaben O=C(OCC)c1ccc(O)cc1 1-propanol CCCO 2.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethylparaben&solvent=1-propanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.CCCO 2012-05-16T19:28:46Z 522 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 1-propanol CCCO 0.088 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=1-propanol c1ccc-2c(c1)Cc3c2cccc3.CCCO 2012-05-16T19:28:46Z 523 fluorene c1ccc-2c(c1)Cc3c2cccc3 1-propanol CCCO 0.161 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=1-propanol C(=C/C(=O)O)\C(=O)O.CCCO 2012-05-16T19:28:46Z 524 fumaric acid C(=C/C(=O)O)\C(=O)O 1-propanol CCCO 0.189 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fumaric+acid&solvent=1-propanol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.CCCO 2012-05-16T19:28:46Z 525 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F 1-propanol CCCO 0.043 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=1-propanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.CCCO 2012-05-16T19:28:46Z 526 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 1-propanol CCCO 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=1-propanol O=C(O)C(c1ccc(cc1)CC(C)C)C.OCCC 2012-05-16T19:28:46Z 527 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C 1-propanol OCCC 1.520 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=1-propanol c1cnccc1C(=O)O.CCCO 2012-05-16T19:28:46Z 528 isonicotinic acid c1cnccc1C(=O)O 1-propanol CCCO 0.010 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isonicotinic+acid&solvent=1-propanol O=C(O)c1cccc(C(=O)O)c1.CCCO 2012-05-16T19:28:46Z 529 isophthalic acid O=C(O)c1cccc(C(=O)O)c1 1-propanol CCCO 0.042 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isophthalic+acid&solvent=1-propanol O=C(O)\C(=C)CC(=O)O.CCCO 2012-05-16T19:28:46Z 530 itaconic acid O=C(O)\C(=C)CC(=O)O 1-propanol CCCO 0.969 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=itaconic+acid&solvent=1-propanol CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.CCCO 2012-05-16T19:28:46Z 531 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O 1-propanol CCCO 0.972 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=1-propanol C(CC(=O)O)[C@@H](C(=O)O)N.CCCO 2012-05-16T19:28:46Z 532 L-glutamic acid C(CC(=O)O)[C@@H](C(=O)O)N 1-propanol CCCO 0.001 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=L-glutamic+acid&solvent=1-propanol O=C(O)CCCCCCCCCCC.CCCO 2012-05-16T19:28:46Z 533 lauric acid O=C(O)CCCCCCCCCCC 1-propanol CCCO 2.377 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lauric+acid&solvent=1-propanol O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cc(O)cc3O.CCCO 2012-05-16T19:28:46Z 534 luteolin O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cc(O)cc3O 1-propanol CCCO 0.032 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=luteolin&solvent=1-propanol O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.CCCO 2012-05-16T19:28:46Z 535 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C 1-propanol CCCO 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=1-propanol COC(=O)c1ccc(cc1)O.CCCO 2012-05-16T19:28:46Z 536 methylparaben COC(=O)c1ccc(cc1)O 1-propanol CCCO 1.732 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=1-propanol N\C1=C\C(=N/C(=N)N1O)N2CCCCC2.CCCO 2012-05-16T19:28:46Z 537 minoxidil N\C1=C\C(=N/C(=N)N1O)N2CCCCC2 1-propanol CCCO 0.092 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=minoxidil&solvent=1-propanol Clc1ccc(NC(=O)N(C)C)cc1.CCCO 2012-05-16T19:28:46Z 538 monuron Clc1ccc(NC(=O)N(C)C)cc1 1-propanol CCCO 0.166 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=1-propanol C1(=CC=CC=C1)N(O)C(C2=CC(=C(C=C2)C)[N+](=O)[O-])=O.CCCO 2012-05-16T19:28:46Z 539 N-phenyl-4-methyl-3-nitrobenzohydroxamic acid C1(=CC=CC=C1)N(O)C(C2=CC(=C(C=C2)C)[N+](=O)[O-])=O 1-propanol CCCO 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenyl-4-methyl-3-nitrobenzohydroxamic+acid&solvent=1-propanol [O-][N+](=O)c2ccc(C(=O)N(O)c1ccccc1)cc2.CCCO 2012-05-16T19:28:46Z 540 N-phenyl-4-nitrobenzohydroxamic acid [O-][N+](=O)c2ccc(C(=O)N(O)c1ccccc1)cc2 1-propanol CCCO 0.130 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenyl-4-nitrobenzohydroxamic+acid&solvent=1-propanol O=C(N(O)c1ccccc1)c2ccccc2.CCCO 2012-05-16T19:28:46Z 541 N-phenylbenzohydroxamic acid O=C(N(O)c1ccccc1)c2ccccc2 1-propanol CCCO 0.110 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenylbenzohydroxamic+acid&solvent=1-propanol O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.CCCO 2012-05-16T19:28:46Z 542 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C 1-propanol CCCO 0.169 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=1-propanol O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC.CCCO 2012-05-16T19:28:46Z 543 norfloxacin O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC 1-propanol CCCO 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=norfloxacin&solvent=1-propanol O=S(=O)(c1ccc(N)cc1)N.CCCO 2012-05-16T19:28:46Z 544 p-aminobenzenesulfonamide O=S(=O)(c1ccc(N)cc1)N 1-propanol CCCO 0.036 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-aminobenzenesulfonamide&solvent=1-propanol CCCCCCCCCCCCCCCC(=O)O.CCCO 2012-05-16T19:28:46Z 545 palmitic acid CCCCCCCCCCCCCCCC(=O)O 1-propanol CCCO 0.890 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=palmitic+acid&solvent=1-propanol O=C(Nc1ccc(OCC)cc1)C.CCCO 2012-05-16T19:28:46Z 546 phenacetin O=C(Nc1ccc(OCC)cc1)C 1-propanol CCCO 0.233 Non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=1-propanol c3cc2ccc1ccccc1c2cc3.CCCO 2012-05-16T19:28:46Z 547 phenanthrene c3cc2ccc1ccccc1c2cc3 1-propanol CCCO 0.176 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=1-propanol c1ccc2c(c1)Nc3ccccc3S2.CCCO 2012-05-16T19:28:46Z 548 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 1-propanol CCCO 0.116 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=1-propanol O=C(Oc1ccccc1)c2ccccc2O.CCCO 2012-05-16T19:28:46Z 549 phenyl salicylate O=C(Oc1ccccc1)c2ccccc2O 1-propanol CCCO 1.688 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenyl+salicylate&solvent=1-propanol O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2.CCCO 2012-05-16T19:28:46Z 550 phloretin O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2 1-propanol CCCO 0.401 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phloretin&solvent=1-propanol Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5.CCCO 2012-05-16T19:28:46Z 551 pimozide Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5 1-propanol CCCO 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimozide&solvent=1-propanol O=C(OCCC)c1ccc(O)cc1.CCCO 2012-05-16T19:28:46Z 552 propylparaben O=C(OCCC)c1ccc(O)cc1 1-propanol CCCO 2.152 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=propylparaben&solvent=1-propanol c1cc2ccc3cccc4c3c2c(c1)cc4.CCCO 2012-05-16T19:28:46Z 553 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 1-propanol CCCO 0.056 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=1-propanol C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O.CCCO 2012-05-16T19:28:46Z 554 rutin C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O 1-propanol CCCO 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=rutin&solvent=1-propanol O=C(c1ccccc1O)N.CCCO 2012-05-16T19:28:46Z 555 salicylamide O=C(c1ccccc1O)N 1-propanol CCCO 0.432 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=1-propanol C(CC(=O)O)C(=O)O.CCCO 2012-05-16T19:28:46Z 556 succinic acid C(CC(=O)O)C(=O)O 1-propanol CCCO 0.346 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=succinic+acid&solvent=1-propanol O=S(=O)(Nc1ncccn1)c2ccc(N)cc2.CCCO 2012-05-16T19:28:46Z 557 sulfadiazine O=S(=O)(Nc1ncccn1)c2ccc(N)cc2 1-propanol CCCO 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfadiazine&solvent=1-propanol S1c3c(Sc2c1cccc2)cccc3.CCCO 2012-05-16T19:28:46Z 558 thianthrene S1c3c(Sc2c1cccc2)cccc3 1-propanol CCCO 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=1-propanol O=C1c3c(Sc2c1cccc2)cccc3.CCCO 2012-05-16T19:28:46Z 559 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 1-propanol CCCO 0.011 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=1-propanol C(=S)(N)N.CCCO 2012-05-16T19:28:46Z 560 thiourea C(=S)(N)N 1-propanol CCCO 0.210 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiourea&solvent=1-propanol c1ccc(cc1)/C=C/c2ccccc2.CCCO 2012-05-16T19:28:46Z 561 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 1-propanol CCCO 0.053 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=1-propanol Oc1ccc(cc1OC)C=O.OCCC 2012-05-16T19:28:46Z 562 vanillin Oc1ccc(cc1OC)C=O 1-propanol OCCC 1.820 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=vanillin&solvent=1-propanol O2c1ccccc1Cc3c2cccc3.OCCC 2012-05-16T19:28:46Z 563 xanthene O2c1ccccc1Cc3c2cccc3 1-propanol OCCC 0.150 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=1-propanol O=C(O)c1ccccc1OC.OC(C)COC(C)(C)C 2012-05-16T19:28:46Z 564 2-methoxybenzoic acid O=C(O)c1ccccc1OC 1-tert-butoxy-2-propanol OC(C)COC(C)(C)C 0.521 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=1-tert-butoxy-2-propanol O=C(O)c1cc(ccc1)C.OC(C)COC(C)(C)C 2012-05-16T19:28:46Z 565 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 1-tert-butoxy-2-propanol OC(C)COC(C)(C)C 1.594 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=1-tert-butoxy-2-propanol COc1ccc(cc1)C(O)=O.OC(C)COC(C)(C)C 2012-05-16T19:28:46Z 566 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 1-tert-butoxy-2-propanol OC(C)COC(C)(C)C 0.185 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=1-tert-butoxy-2-propanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OC(C)COC(C)(C)C 2012-05-16T19:28:46Z 567 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 1-tert-butoxy-2-propanol OC(C)COC(C)(C)C 0.220 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=1-tert-butoxy-2-propanol CC(=O)Nc1ccc(cc1)O.OC(C)COC(C)(C)C 2012-05-16T19:28:46Z 568 acetaminophen CC(=O)Nc1ccc(cc1)O 1-tert-butoxy-2-propanol OC(C)COC(C)(C)C 0.282 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=1-tert-butoxy-2-propanol c1ccc2cc3ccccc3cc2c1.OC(C)COC(C)(C)C 2012-05-16T19:28:46Z 569 anthracene c1ccc2cc3ccccc3cc2c1 1-tert-butoxy-2-propanol OC(C)COC(C)(C)C 0.019 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=1-tert-butoxy-2-propanol c1cc2ccc3cccc4c3c2c(c1)cc4.OC(C)COC(C)(C)C 2012-05-16T19:28:46Z 570 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 1-tert-butoxy-2-propanol OC(C)COC(C)(C)C 0.234 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=1-tert-butoxy-2-propanol O=C(c1ccccc1O)N.OC(C)COC(C)(C)C 2012-05-16T19:28:46Z 571 salicylamide O=C(c1ccccc1O)N 1-tert-butoxy-2-propanol OC(C)COC(C)(C)C 0.688 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=1-tert-butoxy-2-propanol COc1ccc(cc1)C(O)=O.OC(C)COC(C)(C)C 2012-05-16T19:28:46Z 572 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 1-tert-butoxy2-propanol OC(C)COC(C)(C)C 0.185 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=1-tert-butoxy2-propanol O=Cc2cc3c(c1c2cccc1)cccc3.ClC(F)(F)C(Cl)(Cl)F 2012-05-16T19:28:46Z 573 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 1,1,2-trichlorotrifluoroethane ClC(F)(F)C(Cl)(Cl)F 0.020 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=1,1,2-trichlorotrifluoroethane c1ccc(cc1)c2ccccc2.BrCCBr 2012-05-16T19:28:46Z 574 biphenyl c1ccc(cc1)c2ccccc2 1,2-dibromoethane BrCCBr 3.435 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=1,2-dibromoethane Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.BrCCBr 2012-05-16T19:28:46Z 575 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F 1,2-dibromoethane BrCCBr 0.459 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=1,2-dibromoethane ClC(Cl)(Cl)C(Cl)(Cl)Cl.BrCCBr 2012-05-16T19:28:46Z 576 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl 1,2-dibromoethane BrCCBr 1.660 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=1,2-dibromoethane c1ccc2ccccc2c1.BrCCBr 2012-05-16T19:28:46Z 577 naphthalene c1ccc2ccccc2c1 1,2-dibromoethane BrCCBr 3.091 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=1,2-dibromoethane Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.BrCCBr 2012-05-16T19:28:46Z 578 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F 1,2-dibromoethane BrCCBr 0.690 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=1,2-dibromoethane c1c[n+](ccc1[N+](=O)[O-])[O-].ClCCCl 2012-05-16T19:28:46Z 579 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 1,2-dichloroethane ClCCCl 0.216 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=1,2-dichloroethane c1cc2cccc3c2c(c1)CC3.ClCCCl 2012-05-16T19:28:46Z 580 acenaphthene c1cc2cccc3c2c(c1)CC3 1,2-dichloroethane ClCCCl 1.820 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=1,2-dichloroethane Oc1ccc(cc1OC)C(C)=O.ClCCCl 2012-05-16T19:28:46Z 581 apocynin Oc1ccc(cc1OC)C(C)=O 1,2-dichloroethane ClCCCl 0.407 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=apocynin&solvent=1,2-dichloroethane c1ccc(cc1)C(C(=O)c2ccccc2)O.ClCCCl 2012-05-16T19:28:46Z 582 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 1,2-dichloroethane ClCCCl 0.246 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=1,2-dichloroethane c1ccc(cc1)c2ccccc2.ClCCCl 2012-05-16T19:28:46Z 583 biphenyl c1ccc(cc1)c2ccccc2 1,2-dichloroethane ClCCCl 3.555 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=1,2-dichloroethane O=C(O)C=Cc1ccccc1.ClCCCl 2012-05-16T19:28:46Z 584 cinnamic acid O=C(O)C=Cc1ccccc1 1,2-dichloroethane ClCCCl 0.362 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=1,2-dichloroethane Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.ClCCCl 2012-05-16T19:28:46Z 585 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F 1,2-dichloroethane ClCCCl 1.878 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=1,2-dichloroethane O=Cc2cc(c1cc(cc(OC)c1O)C=O)c(O)c(OC)c2.ClCCCl 2012-05-16T19:28:46Z 586 dehydrodivanillin O=Cc2cc(c1cc(cc(OC)c1O)C=O)c(O)c(OC)c2 1,2-dichloroethane ClCCCl 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dehydrodivanillin&solvent=1,2-dichloroethane O=C(OC)c2cc(c1cc(cc(OC)c1O)C(=O)OC)c(O)c(OC)c2.ClCCCl 2012-05-16T19:28:46Z 587 di(methyl vanillate) O=C(OC)c2cc(c1cc(cc(OC)c1O)C(=O)OC)c(O)c(OC)c2 1,2-dichloroethane ClCCCl 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=di(methyl+vanillate)&solvent=1,2-dichloroethane O=C(c2cc(c1cc(cc(OC)c1O)C(=O)C)c(O)c(OC)c2)C.ClCCCl 2012-05-16T19:28:46Z 588 diapocynin O=C(c2cc(c1cc(cc(OC)c1O)C(=O)C)c(O)c(OC)c2)C 1,2-dichloroethane ClCCCl 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diapocynin&solvent=1,2-dichloroethane O=S(=O)(c1ccccc1)c2ccccc2.ClCCCl 2012-05-16T19:28:46Z 589 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 1,2-dichloroethane ClCCCl 1.165 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=1,2-dichloroethane Clc1ccc(NC(=O)N(C)C)cc1Cl.ClCCCl 2012-05-16T19:28:46Z 590 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 1,2-dichloroethane ClCCCl 0.054 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=1,2-dichloroethane c1ccc-2c(c1)-c3cccc4c3c2ccc4.ClCCCl 2012-05-16T19:28:46Z 591 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 1,2-dichloroethane ClCCCl 0.773 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=1,2-dichloroethane c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.ClCCCl 2012-05-16T19:28:46Z 592 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 1,2-dichloroethane ClCCCl 0.036 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=1,2-dichloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl.ClCCCl 2012-05-16T19:28:46Z 593 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl 1,2-dichloroethane ClCCCl 1.477 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=1,2-dichloroethane Clc1ccc(NC(=O)N(C)C)cc1.ClCCCl 2012-05-16T19:28:46Z 594 monuron Clc1ccc(NC(=O)N(C)C)cc1 1,2-dichloroethane ClCCCl 0.085 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=1,2-dichloroethane c1ccc2ccccc2c1.ClCCCl 2012-05-16T19:28:46Z 595 naphthalene c1ccc2ccccc2c1 1,2-dichloroethane ClCCCl 3.312 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=1,2-dichloroethane Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.ClCCCl 2012-05-16T19:28:46Z 596 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F 1,2-dichloroethane ClCCCl 1.662 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=1,2-dichloroethane Fc4cc1c2N(/C=C(\C1=O)C(=O)O)C(COc2c4N3CCN(C)CC3)C.ClCCCl 2012-05-16T19:28:46Z 597 ofloxacin Fc4cc1c2N(/C=C(\C1=O)C(=O)O)C(COc2c4N3CCN(C)CC3)C 1,2-dichloroethane ClCCCl 0.046 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ofloxacin&solvent=1,2-dichloroethane c1cc2ccc3cccc4c3c2c(c1)cc4.ClCCCl 2012-05-16T19:28:46Z 598 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 1,2-dichloroethane ClCCCl 0.968 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=1,2-dichloroethane Oc1ccc(cc1OC)C=O.ClCCCl 2012-05-16T19:28:46Z 599 vanillin Oc1ccc(cc1OC)C=O 1,2-dichloroethane ClCCCl 1.175 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=vanillin&solvent=1,2-dichloroethane O2c1ccccc1Cc3c2cccc3.ClCCCl 2012-05-16T19:28:46Z 600 xanthene O2c1ccccc1Cc3c2cccc3 1,2-dichloroethane ClCCCl 1.620 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=1,2-dichloroethane c1ccc(c(c1)C(=O)O)C(=O)O.CCOCCOCC 2012-05-16T19:28:46Z 601 phthalic acid c1ccc(c(c1)C(=O)O)C(=O)O 1,2-diethoxyethane CCOCCOCC 0.117 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phthalic+acid&solvent=1,2-diethoxyethane O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CC(O)CCO 2012-05-16T19:28:46Z 602 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 1,3-butanediol CC(O)CCO 0.033 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=1,3-butanediol COC(=O)c1ccc(cc1)O.C(CO)CO 2012-05-16T19:28:46Z 603 methylparaben COC(=O)c1ccc(cc1)O 1,3-propanediol C(CO)CO 0.994 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=1,3-propanediol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.C(CCO)CO 2012-05-16T19:28:46Z 604 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 1,4-butanediol C(CCO)CO 0.047 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=1,4-butanediol c1ccc2cc3ccccc3cc2c1.ClCCCCCl 2012-05-16T19:28:46Z 605 anthracene c1ccc2cc3ccccc3cc2c1 1,4-dichlorobutane ClCCCCCl 0.090 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=1,4-dichlorobutane O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC.O1CCOCC1 2012-05-16T19:28:46Z 606 2-(4-ethylbenzoyl)benzoic acid O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC 1,4-dioxane O1CCOCC1 0.096 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(4-ethylbenzoyl)benzoic+acid&solvent=1,4-dioxane O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2.O1CCOCC1 2012-05-16T19:28:46Z 607 2-amino-5-nitrobenzophenone O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2 1,4-dioxane O1CCOCC1 0.455 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-amino-5-nitrobenzophenone&solvent=1,4-dioxane O=C(O)c1ccccc1OC.O1CCOCC1 2012-05-16T19:28:46Z 608 2-methoxybenzoic acid O=C(O)c1ccccc1OC 1,4-dioxane O1CCOCC1 1.530 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=1,4-dioxane O=C(O)c1ccccc1C.O1CCOCC1 2012-05-16T19:28:46Z 609 2-methylbenzoic acid O=C(O)c1ccccc1C 1,4-dioxane O1CCOCC1 2.640 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=1,4-dioxane c1ccc2cc(ccc2c1)O.O1CCOCC1 2012-05-16T19:28:46Z 610 2-naphthol c1ccc2cc(ccc2c1)O 1,4-dioxane O1CCOCC1 4.203 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=1,4-dioxane CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-].O1CCOCC1 2012-05-16T19:28:46Z 611 2,3-dimethyl-2,3-dinitrobutane CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-] 1,4-dioxane O1CCOCC1 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-dimethyl-2,3-dinitrobutane&solvent=1,4-dioxane O=C(O)c1cc(ccc1)C.O1CCOCC1 2012-05-16T19:28:46Z 612 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 1,4-dioxane O1CCOCC1 1.978 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=1,4-dioxane O=[N+]([O-])c1cc(C(=O)O)ccc1.O1CCOCC1 2012-05-16T19:28:46Z 613 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 1,4-dioxane O1CCOCC1 2.067 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=1,4-dioxane O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)O.O1CCOCC1 2012-05-16T19:28:46Z 614 3-nitrophthalic acid O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)O 1,4-dioxane O1CCOCC1 1.053 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalic+acid&solvent=1,4-dioxane [O-][N+](=O)c1cccc2c1C(=O)NC2=O.O1CCOCC1 2012-05-16T19:28:46Z 615 3-nitrophthalimide [O-][N+](=O)c1cccc2c1C(=O)NC2=O 1,4-dioxane O1CCOCC1 0.124 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalimide&solvent=1,4-dioxane O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.O1CCOCC1 2012-05-16T19:28:46Z 616 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 1,4-dioxane O1CCOCC1 0.967 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=1,4-dioxane O=C(O)c1ccc(N)cc1.O1CCOCC1 2012-05-16T19:28:46Z 617 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 1,4-dioxane O1CCOCC1 0.744 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=1,4-dioxane O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.O1CCOCC1 2012-05-16T19:28:46Z 618 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 1,4-dioxane O1CCOCC1 1.430 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=1,4-dioxane O=C(O)c1ccc(Cl)cc1.O1CCOCC1 2012-05-16T19:28:46Z 619 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 1,4-dioxane O1CCOCC1 0.333 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=1,4-dioxane O=C(O)c1ccc(O)cc1.O1CCOCC1 2012-05-16T19:28:46Z 620 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 1,4-dioxane O1CCOCC1 0.711 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=1,4-dioxane COc1ccc(cc1)C(O)=O.O1CCOCC1 2012-05-16T19:28:46Z 621 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 1,4-dioxane O1CCOCC1 0.390 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=1,4-dioxane O=[N+]([O-])c1ccc(C(=O)O)cc1.O1CCOCC1 2012-05-16T19:28:46Z 622 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 1,4-dioxane O1CCOCC1 0.470 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=1,4-dioxane c1c[n+](ccc1[N+](=O)[O-])[O-].O1CCOCC1 2012-05-16T19:28:46Z 623 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 1,4-dioxane O1CCOCC1 0.413 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=1,4-dioxane Fc1cc2c(cc1)NC(=O)C2=O.O1CCOCC1 2012-05-16T19:28:46Z 624 5-fluoroisatin Fc1cc2c(cc1)NC(=O)C2=O 1,4-dioxane O1CCOCC1 0.303 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluoroisatin&solvent=1,4-dioxane c1cc2cccc3c2c(c1)CC3.O1CCOCC1 2012-05-16T19:28:46Z 625 acenaphthene c1cc2cccc3c2c(c1)CC3 1,4-dioxane O1CCOCC1 1.519 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=1,4-dioxane O=C(Nc1ccc(O)cc1)C.O1CCOCC1 2012-05-16T19:28:46Z 626 acetaminophen O=C(Nc1ccc(O)cc1)C 1,4-dioxane O1CCOCC1 0.232 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=1,4-dioxane O=C(Oc1ccccc1C(=O)O)C.O1CCOCC1 2012-05-16T19:28:46Z 627 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 1,4-dioxane O1CCOCC1 0.948 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=1,4-dioxane C(CCC(=O)O)CC(=O)O.O1CCOCC1 2012-05-16T19:28:46Z 628 adipic acid C(CCC(=O)O)CC(=O)O 1,4-dioxane O1CCOCC1 0.465 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adipic+acid&solvent=1,4-dioxane O=C(OCC)c1ccc(N)cc1.O1CCOCC1 2012-05-16T19:28:46Z 629 benzocaine O=C(OCC)c1ccc(N)cc1 1,4-dioxane O1CCOCC1 2.668 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=1,4-dioxane O=C(O)c1ccccc1.O1CCOCC1 2012-05-16T19:28:46Z 630 benzoic acid O=C(O)c1ccccc1 1,4-dioxane O1CCOCC1 3.088 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=1,4-dioxane c1ccc(cc1)C(C(=O)c2ccccc2)O.O1CCOCC1 2012-05-16T19:28:46Z 631 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 1,4-dioxane O1CCOCC1 0.465 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=1,4-dioxane O=S(=O)(c1ccccc1)c2ccccc2.O1CCOCC1 2012-05-16T19:28:46Z 632 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 1,4-dioxane O1CCOCC1 0.934 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=1,4-dioxane Clc1ccc(NC(=O)N(C)C)cc1Cl.O1CCOCC1 2012-05-16T19:28:46Z 633 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 1,4-dioxane O1CCOCC1 0.081 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=1,4-dioxane O=C(OCC)c1ccc(N)cc1.O1CCOCC1 2012-05-16T19:28:46Z 634 ethyl 4-aminobenzoate O=C(OCC)c1ccc(N)cc1 1,4-dioxane O1CCOCC1 2.910 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethyl+4-aminobenzoate&solvent=1,4-dioxane c1ccc-2c(c1)-c3cccc4c3c2ccc4.O1CCOCC1 2012-05-16T19:28:46Z 635 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 1,4-dioxane O1CCOCC1 1.540 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=1,4-dioxane c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.O1CCOCC1 2012-05-16T19:28:46Z 636 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F 1,4-dioxane O1CCOCC1 0.063 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=1,4-dioxane c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.O1CCOCC1 2012-05-16T19:28:46Z 637 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 1,4-dioxane O1CCOCC1 0.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=1,4-dioxane O=C(O)C(c1ccc(cc1)CC(C)C)C.O1CCOCC1 2012-05-16T19:28:46Z 638 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C 1,4-dioxane O1CCOCC1 0.401 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=1,4-dioxane O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.O1CCOCC1 2012-05-16T19:28:46Z 639 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C 1,4-dioxane O1CCOCC1 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=1,4-dioxane Fc1cc(cc(F)c1Br)N2C(=O)C=CC2=O.O1CCOCC1 2012-05-16T19:28:46Z 640 N-[(4-bromo-3,5-difluoro)phenyl]maleimide Fc1cc(cc(F)c1Br)N2C(=O)C=CC2=O 1,4-dioxane O1CCOCC1 0.019 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-[(4-bromo-3,5-difluoro)phenyl]maleimide&solvent=1,4-dioxane O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.O1CCOCC1 2012-05-16T19:28:46Z 641 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C 1,4-dioxane O1CCOCC1 1.379 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=1,4-dioxane FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.O1CCOCC1 2012-05-16T19:28:46Z 642 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O 1,4-dioxane O1CCOCC1 0.516 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=1,4-dioxane O=C(Nc1ccc(OCC)cc1)C.O1CCOCC1 2012-05-16T19:28:46Z 643 phenacetin O=C(Nc1ccc(OCC)cc1)C 1,4-dioxane O1CCOCC1 0.192 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=1,4-dioxane c1ccc2c(c1)ccc3c2cccc3.O1CCOCC1 2012-05-16T19:28:46Z 644 phenanthrene c1ccc2c(c1)ccc3c2cccc3 1,4-dioxane O1CCOCC1 2.093 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=1,4-dioxane c1ccc2c(c1)Nc3ccccc3S2.O1CCOCC1 2012-05-16T19:28:46Z 645 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 1,4-dioxane O1CCOCC1 0.115 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=1,4-dioxane O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2.O1CCOCC1 2012-05-16T19:28:46Z 646 phloretin O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2 1,4-dioxane O1CCOCC1 0.273 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phloretin&solvent=1,4-dioxane Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5.O1CCOCC1 2012-05-16T19:28:46Z 647 pimozide Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5 1,4-dioxane O1CCOCC1 0.123 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimozide&solvent=1,4-dioxane c1cc2ccc3cccc4c3c2c(c1)cc4.O1CCOCC1 2012-05-16T19:28:46Z 648 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 1,4-dioxane O1CCOCC1 0.834 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=1,4-dioxane O=C(c1ccccc1O)N.O1CCOCC1 2012-05-16T19:28:46Z 649 salicylamide O=C(c1ccccc1O)N 1,4-dioxane O1CCOCC1 1.508 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=1,4-dioxane O=C(O)c1ccccc1O.O1CCOCC1 2012-05-16T19:28:46Z 650 salicylic acid O=C(O)c1ccccc1O 1,4-dioxane O1CCOCC1 3.033 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=1,4-dioxane O=C(O)CCCCCCCCCCCCCCCCC.O1CCOCC1 2012-05-16T19:28:46Z 651 stearic acid O=C(O)CCCCCCCCCCCCCCCCC 1,4-dioxane O1CCOCC1 0.144 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=stearic+acid&solvent=1,4-dioxane O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.O1CCOCC1 2012-05-16T19:28:46Z 652 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 1,4-dioxane O1CCOCC1 0.263 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=1,4-dioxane O=S(=O)(Nc1nc(nc(c1)C)C)c2ccc(N)cc2.O1CCOCC1 2012-05-16T19:28:46Z 653 sulfisomidine O=S(=O)(Nc1nc(nc(c1)C)C)c2ccc(N)cc2 1,4-dioxane O1CCOCC1 0.028 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfisomidine&solvent=1,4-dioxane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.O1CCOCC1 2012-05-16T19:28:46Z 654 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 1,4-dioxane O1CCOCC1 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=1,4-dioxane Cn1c2c(c(=O)n(c1=O)C)[nH]cn2.O1CCOCC1 2012-05-16T19:28:46Z 655 theophylline Cn1c2c(c(=O)n(c1=O)C)[nH]cn2 1,4-dioxane O1CCOCC1 0.029 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=theophylline&solvent=1,4-dioxane S1c3c(Sc2c1cccc2)cccc3.O1CCOCC1 2012-05-16T19:28:46Z 656 thianthrene S1c3c(Sc2c1cccc2)cccc3 1,4-dioxane O1CCOCC1 0.270 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=1,4-dioxane O=C1c3c(Sc2c1cccc2)cccc3.O1CCOCC1 2012-05-16T19:28:46Z 657 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 1,4-dioxane O1CCOCC1 0.070 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=1,4-dioxane C(=S)(N)N.O1CCOCC1 2012-05-16T19:28:46Z 658 thiourea C(=S)(N)N 1,4-dioxane O1CCOCC1 0.074 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiourea&solvent=1,4-dioxane c1ccc(cc1)/C=C/c2ccccc2.O1CCOCC1 2012-05-16T19:28:46Z 659 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 1,4-dioxane O1CCOCC1 0.703 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=1,4-dioxane O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC.O1CCOCC1 2012-05-16T19:28:46Z 660 Ugi product 176C (UC) O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC 1,4-dioxane O1CCOCC1 0.190 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+176C+(UC)&solvent=1,4-dioxane O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.BrC(C(=O)O)CC 2012-05-16T19:28:46Z 661 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 2-bromobutanoic acid BrC(C(=O)O)CC 0.290 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=2-bromobutanoic+acid [O-][N+](=O)c2cccc1ccccc12.OC(C)CC 2012-05-16T19:28:46Z 662 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 2-butanol OC(C)CC 0.353 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=2-butanol Brc1ccc(Br)cc1.OC(C)CC 2012-05-16T19:28:46Z 663 1,4-dibromobenzene Brc1ccc(Br)cc1 2-butanol OC(C)CC 0.384 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=2-butanol O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.OC(C)CC 2012-05-16T19:28:46Z 664 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O 2-butanol OC(C)CC 0.910 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=2-butanol O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.OC(C)CC 2012-05-16T19:28:46Z 665 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC 2-butanol OC(C)CC 0.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=2-butanol O=C(O)c1ccccc1OC.OC(C)CC 2012-05-16T19:28:46Z 666 2-methoxybenzoic acid O=C(O)c1ccccc1OC 2-butanol OC(C)CC 0.500 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=2-butanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.OC(C)CC 2012-05-16T19:28:46Z 667 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 2-butanol OC(C)CC 0.164 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=2-butanol n2c1ccccc1nc2C.OC(C)CC 2012-05-16T19:28:46Z 668 2-methylbenzimidazole n2c1ccccc1nc2C 2-butanol OC(C)CC 1.361 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzimidazole&solvent=2-butanol O=C(O)c1ccccc1C.OC(C)CC 2012-05-16T19:28:46Z 669 2-methylbenzoic acid O=C(O)c1ccccc1C 2-butanol OC(C)CC 1.750 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=2-butanol O=C(O)c1cc(Cl)ccc1.OC(C)CC 2012-05-16T19:28:46Z 670 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 2-butanol OC(C)CC 0.961 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=2-butanol O=C(O)c1cc(ccc1)C.OC(C)CC 2012-05-16T19:28:46Z 671 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 2-butanol OC(C)CC 1.947 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=2-butanol O=[N+]([O-])c1cc(C(=O)O)ccc1.OC(C)CC 2012-05-16T19:28:46Z 672 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 2-butanol OC(C)CC 1.949 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=2-butanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.OC(C)CC 2012-05-16T19:28:46Z 673 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 2-butanol OC(C)CC 0.319 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=2-butanol O=C(O)c1ccc(N)cc1.OC(C)CC 2012-05-16T19:28:46Z 674 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 2-butanol OC(C)CC 0.302 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=2-butanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OC(C)CC 2012-05-16T19:28:46Z 675 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 2-butanol OC(C)CC 0.320 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=2-butanol O=C(O)c1ccc(Cl)cc1.OC(C)CC 2012-05-16T19:28:46Z 676 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 2-butanol OC(C)CC 0.160 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=2-butanol COc1ccc(cc1)C(O)=O.OC(C)CC 2012-05-16T19:28:46Z 677 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 2-butanol OC(C)CC 0.130 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=2-butanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OC(C)CC 2012-05-16T19:28:46Z 678 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 2-butanol OC(C)CC 0.100 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=2-butanol c1c[n+](ccc1[N+](=O)[O-])[O-].OC(C)CC 2012-05-16T19:28:46Z 679 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 2-butanol OC(C)CC 0.031 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=2-butanol O=C3c1ccccc1c2c3cccc2.OC(C)CC 2012-05-16T19:28:46Z 680 9-fluorenone O=C3c1ccccc1c2c3cccc2 2-butanol OC(C)CC 0.330 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=2-butanol c1cc2cccc3c2c(c1)CC3.OC(C)CC 2012-05-16T19:28:46Z 681 acenaphthene c1cc2cccc3c2c(c1)CC3 2-butanol OC(C)CC 0.201 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=2-butanol O=C(Oc1ccccc1C(=O)O)C.OC(C)CC 2012-05-16T19:28:46Z 682 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 2-butanol OC(C)CC 0.564 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=2-butanol c1ccc2cc3ccccc3cc2c1.OC(C)CC 2012-05-16T19:28:46Z 683 anthracene c1ccc2cc3ccccc3cc2c1 2-butanol OC(C)CC 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=2-butanol c1ccc2c(c1)[nH]cn2.OC(C)CC 2012-05-16T19:28:46Z 684 benzimidazole c1ccc2c(c1)[nH]cn2 2-butanol OC(C)CC 1.193 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=2-butanol c1ccc(cc1)C(C(=O)c2ccccc2)O.OC(C)CC 2012-05-16T19:28:46Z 685 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 2-butanol OC(C)CC 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=2-butanol O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5.OC(C)CC 2012-05-16T19:28:46Z 686 betulinic acid O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5 2-butanol OC(C)CC 0.016 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=betulinic+acid&solvent=2-butanol c1ccc(cc1)c2ccccc2.OC(C)CC 2012-05-16T19:28:46Z 687 biphenyl c1ccc(cc1)c2ccccc2 2-butanol OC(C)CC 0.524 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=2-butanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.OC(C)CC 2012-05-16T19:28:46Z 688 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 2-butanol OC(C)CC 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=2-butanol O=C(O)C=Cc1ccccc1.OC(C)CC 2012-05-16T19:28:46Z 689 cinnamic acid O=C(O)C=Cc1ccccc1 2-butanol OC(C)CC 0.892 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=2-butanol c1ccc(cc1)OC(=O)Oc2ccccc2.OC(C)CC 2012-05-16T19:28:46Z 690 diphenyl carbonate c1ccc(cc1)OC(=O)Oc2ccccc2 2-butanol OC(C)CC 0.131 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+carbonate&solvent=2-butanol O=S(=O)(c1ccccc1)c2ccccc2.OC(C)CC 2012-05-16T19:28:46Z 691 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 2-butanol OC(C)CC 0.047 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=2-butanol Clc1ccc(NC(=O)N(C)C)cc1Cl.OC(C)CC 2012-05-16T19:28:46Z 692 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 2-butanol OC(C)CC 0.091 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=2-butanol c1c(c(cc(c1C)C)C)C.OC(C)CC 2012-05-16T19:28:46Z 693 durene c1c(c(cc(c1C)C)C)C 2-butanol OC(C)CC 0.549 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=2-butanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.OC(C)CC 2012-05-16T19:28:46Z 694 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 2-butanol OC(C)CC 0.076 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=2-butanol c1ccc-2c(c1)Cc3c2cccc3.OC(C)CC 2012-05-16T19:28:46Z 695 fluorene c1ccc-2c(c1)Cc3c2cccc3 2-butanol OC(C)CC 0.129 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=2-butanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.OC(C)CC 2012-05-16T19:28:46Z 696 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 2-butanol OC(C)CC 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=2-butanol O=C(O)C(c1ccc(cc1)CC(C)C)C.OC(C)CC 2012-05-16T19:28:46Z 697 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C 2-butanol OC(C)CC 1.780 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=2-butanol O=C(O)c1cccc(C(=O)O)c1.OC(C)CC 2012-05-16T19:28:46Z 698 isophthalic acid O=C(O)c1cccc(C(=O)O)c1 2-butanol OC(C)CC 0.025 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isophthalic+acid&solvent=2-butanol CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.OC(C)CC 2012-05-16T19:28:46Z 699 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O 2-butanol OC(C)CC 1.344 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=2-butanol O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.OC(C)CC 2012-05-16T19:28:46Z 700 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C 2-butanol OC(C)CC 0.151 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=2-butanol O=S(=O)(c1ccc(N)cc1)N.OC(C)CC 2012-05-16T19:28:46Z 701 p-aminobenzenesulfonamide O=S(=O)(c1ccc(N)cc1)N 2-butanol OC(C)CC 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-aminobenzenesulfonamide&solvent=2-butanol CCCCCCCCCCCCCCCC(=O)O.OC(C)CC 2012-05-16T19:28:46Z 702 palmitic acid CCCCCCCCCCCCCCCC(=O)O 2-butanol OC(C)CC 1.190 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=palmitic+acid&solvent=2-butanol c1ccc2c(c1)ccc3c2cccc3.OC(C)CC 2012-05-16T19:28:46Z 703 phenanthrene c1ccc2c(c1)ccc3c2cccc3 2-butanol OC(C)CC 0.126 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=2-butanol c1ccc2c(c1)Nc3ccccc3S2.OC(C)CC 2012-05-16T19:28:46Z 704 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 2-butanol OC(C)CC 0.079 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=2-butanol O=C(Oc1ccccc1)c2ccccc2O.OC(C)CC 2012-05-16T19:28:46Z 705 phenyl salicylate O=C(Oc1ccccc1)c2ccccc2O 2-butanol OC(C)CC 1.859 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenyl+salicylate&solvent=2-butanol O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2.OC(C)CC 2012-05-16T19:28:46Z 706 phloretin O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2 2-butanol OC(C)CC 0.149 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phloretin&solvent=2-butanol c1cc2ccc3cccc4c3c2c(c1)cc4.OC(C)CC 2012-05-16T19:28:46Z 707 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 2-butanol OC(C)CC 0.047 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=2-butanol O=C(c1ccccc1O)N.OC(C)CC 2012-05-16T19:28:46Z 708 salicylamide O=C(c1ccccc1O)N 2-butanol OC(C)CC 0.379 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=2-butanol O=C(O)c1ccccc1O.OC(C)CC 2012-05-16T19:28:46Z 709 salicylic acid O=C(O)c1ccccc1O 2-butanol OC(C)CC 1.988 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=2-butanol S1c3c(Sc2c1cccc2)cccc3.OC(C)CC 2012-05-16T19:28:46Z 710 thianthrene S1c3c(Sc2c1cccc2)cccc3 2-butanol OC(C)CC 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=2-butanol O=C1c3c(Sc2c1cccc2)cccc3.OC(C)CC 2012-05-16T19:28:46Z 711 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 2-butanol OC(C)CC 0.011 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=2-butanol c1ccc(cc1)/C=C/c2ccccc2.OC(C)CC 2012-05-16T19:28:46Z 712 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 2-butanol OC(C)CC 0.041 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=2-butanol O2c1ccccc1Cc3c2cccc3.OC(C)CC 2012-05-16T19:28:46Z 713 xanthene O2c1ccccc1Cc3c2cccc3 2-butanol OC(C)CC 0.130 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=2-butanol O=C(O)c1ccccc1OC.CCCCOCCO 2012-05-16T19:28:46Z 714 2-methoxybenzoic acid O=C(O)c1ccccc1OC 2-butoxyethanol CCCCOCCO 0.996 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=2-butoxyethanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.CCCCOCCO 2012-05-16T19:28:46Z 715 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 2-butoxyethanol CCCCOCCO 0.531 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=2-butoxyethanol O=C(O)c1ccccc1C.CCCCOCCO 2012-05-16T19:28:46Z 716 2-methylbenzoic acid O=C(O)c1ccccc1C 2-butoxyethanol CCCCOCCO 1.517 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=2-butoxyethanol O=C(O)c1cc(Cl)ccc1.CCCCOCCO 2012-05-16T19:28:46Z 717 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 2-butoxyethanol CCCCOCCO 1.095 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=2-butoxyethanol O=C(O)c1cc(ccc1)C.CCCCOCCO 2012-05-16T19:28:46Z 718 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 2-butoxyethanol CCCCOCCO 1.685 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=2-butoxyethanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.CCCCOCCO 2012-05-16T19:28:46Z 719 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 2-butoxyethanol CCCCOCCO 0.685 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=2-butoxyethanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.CCCCOCCO 2012-05-16T19:28:46Z 720 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 2-butoxyethanol CCCCOCCO 0.519 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=2-butoxyethanol O=C(O)c1ccc(Cl)cc1.CCCCOCCO 2012-05-16T19:28:46Z 721 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 2-butoxyethanol CCCCOCCO 1.300 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=2-butoxyethanol COc1ccc(cc1)C(O)=O.CCCCOCCO 2012-05-16T19:28:46Z 722 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 2-butoxyethanol CCCCOCCO 0.293 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=2-butoxyethanol O=[N+]([O-])c1ccc(C(=O)O)cc1.CCCCOCCO 2012-05-16T19:28:46Z 723 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 2-butoxyethanol CCCCOCCO 0.191 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=2-butoxyethanol CC(=O)Nc1ccc(cc1)O.CCCCOCCO 2012-05-16T19:28:46Z 724 acetaminophen CC(=O)Nc1ccc(cc1)O 2-butoxyethanol CCCCOCCO 0.469 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=2-butoxyethanol c1ccc2cc3ccccc3cc2c1.CCCCOCCO 2012-05-16T19:28:46Z 725 anthracene c1ccc2cc3ccccc3cc2c1 2-butoxyethanol CCCCOCCO 0.029 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=2-butoxyethanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.CCCCOCCO 2012-05-16T19:28:46Z 726 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 2-butoxyethanol CCCCOCCO 0.495 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=2-butoxyethanol c1ccc(cc1)C(C(=O)c2ccccc2)O.CCCCOCCO 2012-05-16T19:28:46Z 727 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 2-butoxyethanol CCCCOCCO 0.081 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=2-butoxyethanol c1ccc(cc1)c2ccccc2.CCCCOCCO 2012-05-16T19:28:46Z 728 biphenyl c1ccc(cc1)c2ccccc2 2-butoxyethanol CCCCOCCO 1.149 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=2-butoxyethanol O=S(=O)(c1ccccc1)c2ccccc2.CCCCOCCO 2012-05-16T19:28:46Z 729 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 2-butoxyethanol CCCCOCCO 0.227 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=2-butoxyethanol c1cc2ccc3cccc4c3c2c(c1)cc4.CCCCOCCO 2012-05-16T19:28:46Z 730 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 2-butoxyethanol CCCCOCCO 0.286 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=2-butoxyethanol O=C(c1ccccc1O)N.CCCCOCCO 2012-05-16T19:28:46Z 731 salicylamide O=C(c1ccccc1O)N 2-butoxyethanol CCCCOCCO 0.687 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=2-butoxyethanol c1ccc2c(c1)Cc3ccccc3O2.CCCCOCCO 2012-05-16T19:28:46Z 732 xanthene c1ccc2c(c1)Cc3ccccc3O2 2-butoxyethanol CCCCOCCO 0.398 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=2-butoxyethanol O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.Nc1ccccc1Cl 2012-05-16T19:28:46Z 733 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 2-chloroaniline Nc1ccccc1Cl 0.163 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=2-chloroaniline O=C(O)c1ccccc1OC.CCOCCO 2012-05-16T19:28:46Z 734 2-methoxybenzoic acid O=C(O)c1ccccc1OC 2-ethoxyethanol CCOCCO 1.173 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=2-ethoxyethanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.CCOCCO 2012-05-16T19:28:46Z 735 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 2-ethoxyethanol CCOCCO 0.969 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=2-ethoxyethanol O=C(O)c1ccccc1C.CCOCCO 2012-05-16T19:28:46Z 736 2-methylbenzoic acid O=C(O)c1ccccc1C 2-ethoxyethanol CCOCCO 2.137 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=2-ethoxyethanol O=C(O)c1cc(Cl)ccc1.CCOCCO 2012-05-16T19:28:46Z 737 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 2-ethoxyethanol CCOCCO 1.600 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=2-ethoxyethanol O=C(O)c1cc(ccc1)C.CCOCCO 2012-05-16T19:28:46Z 738 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 2-ethoxyethanol CCOCCO 2.054 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=2-ethoxyethanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.CCOCCO 2012-05-16T19:28:46Z 739 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 2-ethoxyethanol CCOCCO 1.334 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=2-ethoxyethanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.CCOCCO 2012-05-16T19:28:46Z 740 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 2-ethoxyethanol CCOCCO 0.678 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=2-ethoxyethanol O=C(O)c1ccc(Cl)cc1.CCOCCO 2012-05-16T19:28:46Z 741 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 2-ethoxyethanol CCOCCO 0.341 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=2-ethoxyethanol COc1ccc(cc1)C(O)=O.CCOCCO 2012-05-16T19:28:46Z 742 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 2-ethoxyethanol CCOCCO 0.414 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=2-ethoxyethanol O=[N+]([O-])c1ccc(C(=O)O)cc1.CCOCCO 2012-05-16T19:28:46Z 743 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 2-ethoxyethanol CCOCCO 0.305 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=2-ethoxyethanol CC(=O)Nc1ccc(cc1)O.CCOCCO 2012-05-16T19:28:46Z 744 acetaminophen CC(=O)Nc1ccc(cc1)O 2-ethoxyethanol CCOCCO 1.236 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=2-ethoxyethanol c1ccc2cc3ccccc3cc2c1.CCOCCO 2012-05-16T19:28:46Z 745 anthracene c1ccc2cc3ccccc3cc2c1 2-ethoxyethanol CCOCCO 0.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=2-ethoxyethanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.CCOCCO 2012-05-16T19:28:46Z 746 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 2-ethoxyethanol CCOCCO 0.641 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=2-ethoxyethanol c1ccc(cc1)C(C(=O)c2ccccc2)O.CCOCCO 2012-05-16T19:28:46Z 747 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 2-ethoxyethanol CCOCCO 0.138 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=2-ethoxyethanol c1ccc(cc1)c2ccccc2.CCOCCO 2012-05-16T19:28:46Z 748 biphenyl c1ccc(cc1)c2ccccc2 2-ethoxyethanol CCOCCO 1.327 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=2-ethoxyethanol O=S(=O)(c1ccccc1)c2ccccc2.CCOCCO 2012-05-16T19:28:46Z 749 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 2-ethoxyethanol CCOCCO 0.301 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=2-ethoxyethanol c1cc2ccc3cccc4c3c2c(c1)cc4.CCOCCO 2012-05-16T19:28:46Z 750 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 2-ethoxyethanol CCOCCO 0.304 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=2-ethoxyethanol O=C(c1ccccc1O)N.CCOCCO 2012-05-16T19:28:46Z 751 salicylamide O=C(c1ccccc1O)N 2-ethoxyethanol CCOCCO 1.330 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=2-ethoxyethanol c1ccc2c(c1)Cc3ccccc3O2.CCOCCO 2012-05-16T19:28:46Z 752 xanthene c1ccc2c(c1)Cc3ccccc3O2 2-ethoxyethanol CCOCCO 0.426 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=2-ethoxyethanol [O-][N+](=O)c2cccc1ccccc12.OCC(CC)CCCC 2012-05-16T19:28:46Z 753 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 2-ethyl-1-hexanol OCC(CC)CCCC 0.261 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=2-ethyl-1-hexanol O=C(O)c1ccccc1OC.OCC(CC)CCCC 2012-05-16T19:28:46Z 754 2-methoxybenzoic acid O=C(O)c1ccccc1OC 2-ethyl-1-hexanol OCC(CC)CCCC 0.250 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=2-ethyl-1-hexanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OCC(CC)CCCC 2012-05-16T19:28:46Z 755 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 2-ethyl-1-hexanol OCC(CC)CCCC 0.150 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=2-ethyl-1-hexanol COc1ccc(cc1)C(O)=O.OCC(CC)CCCC 2012-05-16T19:28:46Z 756 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 2-ethyl-1-hexanol OCC(CC)CCCC 0.070 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=2-ethyl-1-hexanol c1c[n+](ccc1[N+](=O)[O-])[O-].OCC(CC)CCCC 2012-05-16T19:28:46Z 757 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 2-ethyl-1-hexanol OCC(CC)CCCC 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=2-ethyl-1-hexanol O=C3c1ccccc1c2c3cccc2.OCC(CC)CCCC 2012-05-16T19:28:46Z 758 9-fluorenone O=C3c1ccccc1c2c3cccc2 2-ethyl-1-hexanol OCC(CC)CCCC 0.350 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=2-ethyl-1-hexanol c1cc2cccc3c2c(c1)CC3.OCC(CC)CCCC 2012-05-16T19:28:46Z 759 acenaphthene c1cc2cccc3c2c(c1)CC3 2-ethyl-1-hexanol OCC(CC)CCCC 0.280 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=2-ethyl-1-hexanol O=C(Oc1ccccc1C(=O)O)C.OCC(CC)CCCC 2012-05-16T19:28:46Z 760 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 2-ethyl-1-hexanol OCC(CC)CCCC 0.192 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=2-ethyl-1-hexanol c1ccc2cc3ccccc3cc2c1.OCC(CC)CCCC 2012-05-16T19:28:46Z 761 anthracene c1ccc2cc3ccccc3cc2c1 2-ethyl-1-hexanol OCC(CC)CCCC 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=2-ethyl-1-hexanol c1ccc(cc1)c2ccccc2.OCC(CC)CCCC 2012-05-16T19:28:46Z 762 biphenyl c1ccc(cc1)c2ccccc2 2-ethyl-1-hexanol OCC(CC)CCCC 0.600 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=2-ethyl-1-hexanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.OCC(CC)CCCC 2012-05-16T19:28:46Z 763 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 2-ethyl-1-hexanol OCC(CC)CCCC 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=2-ethyl-1-hexanol O=S(=O)(c1ccccc1)c2ccccc2.OCC(CC)CCCC 2012-05-16T19:28:46Z 764 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 2-ethyl-1-hexanol OCC(CC)CCCC 0.033 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=2-ethyl-1-hexanol Clc1ccc(NC(=O)N(C)C)cc1Cl.OCC(CC)CCCC 2012-05-16T19:28:46Z 765 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 2-ethyl-1-hexanol OCC(CC)CCCC 0.061 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=2-ethyl-1-hexanol c1c(c(cc(c1C)C)C)C.OCC(CC)CCCC 2012-05-16T19:28:46Z 766 durene c1c(c(cc(c1C)C)C)C 2-ethyl-1-hexanol OCC(CC)CCCC 0.690 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=2-ethyl-1-hexanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.OCC(CC)CCCC 2012-05-16T19:28:46Z 767 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 2-ethyl-1-hexanol OCC(CC)CCCC 0.113 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=2-ethyl-1-hexanol c1ccc-2c(c1)Cc3c2cccc3.OCC(CC)CCCC 2012-05-16T19:28:46Z 768 fluorene c1ccc-2c(c1)Cc3c2cccc3 2-ethyl-1-hexanol OCC(CC)CCCC 0.177 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=2-ethyl-1-hexanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.OCC(CC)CCCC 2012-05-16T19:28:46Z 769 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 2-ethyl-1-hexanol OCC(CC)CCCC 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=2-ethyl-1-hexanol c1ccc2c(c1)ccc3c2cccc3.OCC(CC)CCCC 2012-05-16T19:28:46Z 770 phenanthrene c1ccc2c(c1)ccc3c2cccc3 2-ethyl-1-hexanol OCC(CC)CCCC 0.181 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=2-ethyl-1-hexanol c1ccc2c(c1)Nc3ccccc3S2.OCC(CC)CCCC 2012-05-16T19:28:46Z 771 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 2-ethyl-1-hexanol OCC(CC)CCCC 0.064 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=2-ethyl-1-hexanol O=C(c1ccccc1O)N.OCC(CC)CCCC 2012-05-16T19:28:46Z 772 salicylamide O=C(c1ccccc1O)N 2-ethyl-1-hexanol OCC(CC)CCCC 0.153 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=2-ethyl-1-hexanol S1c3c(Sc2c1cccc2)cccc3.OCC(CC)CCCC 2012-05-16T19:28:46Z 773 thianthrene S1c3c(Sc2c1cccc2)cccc3 2-ethyl-1-hexanol OCC(CC)CCCC 0.026 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=2-ethyl-1-hexanol O=C1c3c(Sc2c1cccc2)cccc3.OCC(CC)CCCC 2012-05-16T19:28:46Z 774 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 2-ethyl-1-hexanol OCC(CC)CCCC 0.015 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=2-ethyl-1-hexanol c1ccc(cc1)/C=C/c2ccccc2.OCC(CC)CCCC 2012-05-16T19:28:46Z 775 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 2-ethyl-1-hexanol OCC(CC)CCCC 0.054 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=2-ethyl-1-hexanol O=C(O)c1ccccc1OC.OCCOC(C)C 2012-05-16T19:28:46Z 776 2-methoxybenzoic acid O=C(O)c1ccccc1OC 2-isopropoxyethanol OCCOC(C)C 0.732 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=2-isopropoxyethanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.OCCOC(C)C 2012-05-16T19:28:46Z 777 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 2-isopropoxyethanol OCCOC(C)C 0.845 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=2-isopropoxyethanol O=C(O)c1ccccc1C.OCCOC(C)C 2012-05-16T19:28:46Z 778 2-methylbenzoic acid O=C(O)c1ccccc1C 2-isopropoxyethanol OCCOC(C)C 1.549 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=2-isopropoxyethanol O=C(O)c1cc(ccc1)C.OCCOC(C)C 2012-05-16T19:28:46Z 779 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 2-isopropoxyethanol OCCOC(C)C 1.961 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=2-isopropoxyethanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.OCCOC(C)C 2012-05-16T19:28:46Z 780 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 2-isopropoxyethanol OCCOC(C)C 1.086 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=2-isopropoxyethanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OCCOC(C)C 2012-05-16T19:28:46Z 781 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 2-isopropoxyethanol OCCOC(C)C 0.586 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=2-isopropoxyethanol O=C(O)c1ccc(Cl)cc1.OCCOC(C)C 2012-05-16T19:28:46Z 782 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 2-isopropoxyethanol OCCOC(C)C 0.307 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=2-isopropoxyethanol COc1ccc(cc1)C(O)=O.OCCOC(C)C 2012-05-16T19:28:46Z 783 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 2-isopropoxyethanol OCCOC(C)C 0.312 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=2-isopropoxyethanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OCCOC(C)C 2012-05-16T19:28:46Z 784 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 2-isopropoxyethanol OCCOC(C)C 0.244 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=2-isopropoxyethanol CC(=O)Nc1ccc(cc1)O.OCCOC(C)C 2012-05-16T19:28:46Z 785 acetaminophen CC(=O)Nc1ccc(cc1)O 2-isopropoxyethanol OCCOC(C)C 0.760 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=2-isopropoxyethanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.OCCOC(C)C 2012-05-16T19:28:46Z 786 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 2-isopropoxyethanol OCCOC(C)C 0.553 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=2-isopropoxyethanol c1ccc(cc1)C(C(=O)c2ccccc2)O.OCCOC(C)C 2012-05-16T19:28:46Z 787 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 2-isopropoxyethanol OCCOC(C)C 0.089 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=2-isopropoxyethanol c1ccc(cc1)c2ccccc2.OCCOC(C)C 2012-05-16T19:28:46Z 788 biphenyl c1ccc(cc1)c2ccccc2 2-isopropoxyethanol OCCOC(C)C 1.326 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=2-isopropoxyethanol O=S(=O)(c1ccccc1)c2ccccc2.OCCOC(C)C 2012-05-16T19:28:46Z 789 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 2-isopropoxyethanol OCCOC(C)C 0.217 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=2-isopropoxyethanol O=C(c1ccccc1O)N.OCCOC(C)C 2012-05-16T19:28:46Z 790 salicylamide O=C(c1ccccc1O)N 2-isopropoxyethanol OCCOC(C)C 0.909 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=2-isopropoxyethanol c1ccc2c(c1)Cc3ccccc3O2.OCCOC(C)C 2012-05-16T19:28:46Z 791 xanthene c1ccc2c(c1)Cc3ccccc3O2 2-isopropoxyethanol OCCOC(C)C 0.450 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=2-isopropoxyethanol c1ccc2cc3ccccc3cc2c1.OCCOC 2012-05-16T19:28:46Z 792 anthracene c1ccc2cc3ccccc3cc2c1 2-methoxyethanol OCCOC 0.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=2-methoxyethanol c1cc2ccc3cccc4c3c2c(c1)cc4.OCCOC 2012-05-16T19:28:46Z 793 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 2-methoxyethanol OCCOC 0.206 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=2-methoxyethanol [O-][N+](=O)c2cccc1ccccc12.OCC(C)CC 2012-05-16T19:28:46Z 794 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 2-methyl-1-butanol OCC(C)CC 0.271 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=2-methyl-1-butanol O=C(O)c1ccccc1OC.OCC(C)CC 2012-05-16T19:28:46Z 795 2-methoxybenzoic acid O=C(O)c1ccccc1OC 2-methyl-1-butanol OCC(C)CC 0.390 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=2-methyl-1-butanol O=C(O)c1ccccc1C.OCC(C)CC 2012-05-16T19:28:46Z 796 2-methylbenzoic acid O=C(O)c1ccccc1C 2-methyl-1-butanol OCC(C)CC 1.250 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=2-methyl-1-butanol O=C(O)c1cc(ccc1)C.OCC(C)CC 2012-05-16T19:28:46Z 797 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 2-methyl-1-butanol OCC(C)CC 1.333 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=2-methyl-1-butanol O=[N+]([O-])c1cc(C(=O)O)ccc1.OCC(C)CC 2012-05-16T19:28:46Z 798 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 2-methyl-1-butanol OCC(C)CC 1.005 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=2-methyl-1-butanol O=C(O)c1ccc(Cl)cc1.OCC(C)CC 2012-05-16T19:28:46Z 799 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 2-methyl-1-butanol OCC(C)CC 0.104 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=2-methyl-1-butanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OCC(C)CC 2012-05-16T19:28:46Z 800 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 2-methyl-1-butanol OCC(C)CC 0.050 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=2-methyl-1-butanol O=C(Oc1ccccc1C(=O)O)C.OCC(C)CC 2012-05-16T19:28:46Z 801 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 2-methyl-1-butanol OCC(C)CC 0.313 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=2-methyl-1-butanol c1ccc-2c(c1)Cc3c2cccc3.OCC(C)CC 2012-05-16T19:28:46Z 802 fluorene c1ccc-2c(c1)Cc3c2cccc3 2-methyl-1-butanol OCC(C)CC 0.168 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=2-methyl-1-butanol c1ccc2c(c1)Nc3ccccc3S2.OCC(C)CC 2012-05-16T19:28:46Z 803 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 2-methyl-1-butanol OCC(C)CC 0.066 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=2-methyl-1-butanol [O-][N+](=O)c2cccc1ccccc12.OCC(C)CCC 2012-05-16T19:28:46Z 804 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 2-methyl-1-pentanol OCC(C)CCC 0.292 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=2-methyl-1-pentanol O=C(O)c1ccccc1OC.OCC(C)CCC 2012-05-16T19:28:46Z 805 2-methoxybenzoic acid O=C(O)c1ccccc1OC 2-methyl-1-pentanol OCC(C)CCC 0.350 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=2-methyl-1-pentanol O=C(O)c1cc(ccc1)C.OCC(C)CCC 2012-05-16T19:28:46Z 806 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 2-methyl-1-pentanol OCC(C)CCC 1.343 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=2-methyl-1-pentanol O=[N+]([O-])c1cc(C(=O)O)ccc1.OCC(C)CCC 2012-05-16T19:28:46Z 807 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 2-methyl-1-pentanol OCC(C)CCC 1.082 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=2-methyl-1-pentanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OCC(C)CCC 2012-05-16T19:28:46Z 808 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 2-methyl-1-pentanol OCC(C)CCC 0.190 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=2-methyl-1-pentanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OCC(C)CCC 2012-05-16T19:28:46Z 809 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 2-methyl-1-pentanol OCC(C)CCC 0.050 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=2-methyl-1-pentanol O=C3c1ccccc1c2c3cccc2.OCC(C)CCC 2012-05-16T19:28:46Z 810 9-fluorenone O=C3c1ccccc1c2c3cccc2 2-methyl-1-pentanol OCC(C)CCC 0.360 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=2-methyl-1-pentanol c1cc2cccc3c2c(c1)CC3.OCC(C)CCC 2012-05-16T19:28:46Z 811 acenaphthene c1cc2cccc3c2c(c1)CC3 2-methyl-1-pentanol OCC(C)CCC 0.231 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=2-methyl-1-pentanol O=C(Oc1ccccc1C(=O)O)C.OCC(C)CCC 2012-05-16T19:28:46Z 812 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 2-methyl-1-pentanol OCC(C)CCC 0.254 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=2-methyl-1-pentanol c1ccc2cc3ccccc3cc2c1.OCC(C)CCC 2012-05-16T19:28:46Z 813 anthracene c1ccc2cc3ccccc3cc2c1 2-methyl-1-pentanol OCC(C)CCC 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=2-methyl-1-pentanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.OCC(C)CCC 2012-05-16T19:28:46Z 814 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 2-methyl-1-pentanol OCC(C)CCC 0.110 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=2-methyl-1-pentanol c1ccc(cc1)c2ccccc2.OCC(C)CCC 2012-05-16T19:28:46Z 815 biphenyl c1ccc(cc1)c2ccccc2 2-methyl-1-pentanol OCC(C)CCC 0.566 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=2-methyl-1-pentanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.OCC(C)CCC 2012-05-16T19:28:46Z 816 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 2-methyl-1-pentanol OCC(C)CCC 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=2-methyl-1-pentanol O=S(=O)(c1ccccc1)c2ccccc2.OCC(C)CCC 2012-05-16T19:28:46Z 817 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 2-methyl-1-pentanol OCC(C)CCC 0.036 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=2-methyl-1-pentanol Clc1ccc(NC(=O)N(C)C)cc1Cl.OCC(C)CCC 2012-05-16T19:28:46Z 818 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 2-methyl-1-pentanol OCC(C)CCC 0.089 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=2-methyl-1-pentanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.OCC(C)CCC 2012-05-16T19:28:46Z 819 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 2-methyl-1-pentanol OCC(C)CCC 0.093 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=2-methyl-1-pentanol c1ccc-2c(c1)Cc3c2cccc3.OCC(C)CCC 2012-05-16T19:28:46Z 820 fluorene c1ccc-2c(c1)Cc3c2cccc3 2-methyl-1-pentanol OCC(C)CCC 0.157 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=2-methyl-1-pentanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.OCC(C)CCC 2012-05-16T19:28:46Z 821 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 2-methyl-1-pentanol OCC(C)CCC 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=2-methyl-1-pentanol c1ccc2c(c1)ccc3c2cccc3.OCC(C)CCC 2012-05-16T19:28:46Z 822 phenanthrene c1ccc2c(c1)ccc3c2cccc3 2-methyl-1-pentanol OCC(C)CCC 0.143 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=2-methyl-1-pentanol c1ccc2c(c1)Nc3ccccc3S2.OCC(C)CCC 2012-05-16T19:28:46Z 823 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 2-methyl-1-pentanol OCC(C)CCC 0.069 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=2-methyl-1-pentanol S1c3c(Sc2c1cccc2)cccc3.OCC(C)CCC 2012-05-16T19:28:46Z 824 thianthrene S1c3c(Sc2c1cccc2)cccc3 2-methyl-1-pentanol OCC(C)CCC 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=2-methyl-1-pentanol O=C1c3c(Sc2c1cccc2)cccc3.OCC(C)CCC 2012-05-16T19:28:46Z 825 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 2-methyl-1-pentanol OCC(C)CCC 0.014 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=2-methyl-1-pentanol c1ccc(cc1)/C=C/c2ccccc2.OCC(C)CCC 2012-05-16T19:28:46Z 826 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 2-methyl-1-pentanol OCC(C)CCC 0.048 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=2-methyl-1-pentanol O2c1ccccc1Cc3c2cccc3.OCC(C)CCC 2012-05-16T19:28:46Z 827 xanthene O2c1ccccc1Cc3c2cccc3 2-methyl-1-pentanol OCC(C)CCC 0.160 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=2-methyl-1-pentanol [O-][N+](=O)c2cccc1ccccc12.CC(C)CO 2012-05-16T19:28:46Z 828 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 2-methyl-1-propanol CC(C)CO 0.186 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=2-methyl-1-propanol Brc1ccc(Br)cc1.OCC(C)C 2012-05-16T19:28:46Z 829 1,4-dibromobenzene Brc1ccc(Br)cc1 2-methyl-1-propanol OCC(C)C 0.361 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=2-methyl-1-propanol C1COCCOCCOCCOCCOCCO1.CC(C)CO 2012-05-16T19:28:46Z 830 18-crown-6 C1COCCOCCOCCOCCOCCO1 2-methyl-1-propanol CC(C)CO 2.591 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=18-crown-6&solvent=2-methyl-1-propanol O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.OCC(C)C 2012-05-16T19:28:46Z 831 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O 2-methyl-1-propanol OCC(C)C 0.630 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=2-methyl-1-propanol O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.OCC(C)C 2012-05-16T19:28:46Z 832 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC 2-methyl-1-propanol OCC(C)C 0.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=2-methyl-1-propanol O=C(O)c1ccccc1OC.OCC(C)C 2012-05-16T19:28:46Z 833 2-methoxybenzoic acid O=C(O)c1ccccc1OC 2-methyl-1-propanol OCC(C)C 0.410 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=2-methyl-1-propanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.OCC(C)C 2012-05-16T19:28:46Z 834 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 2-methyl-1-propanol OCC(C)C 0.089 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=2-methyl-1-propanol O=C(O)c1ccccc1C.OCC(C)C 2012-05-16T19:28:46Z 835 2-methylbenzoic acid O=C(O)c1ccccc1C 2-methyl-1-propanol OCC(C)C 1.280 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=2-methyl-1-propanol O=C(O)c1cc(Cl)ccc1.CC(C)CO 2012-05-16T19:28:46Z 836 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 2-methyl-1-propanol CC(C)CO 0.738 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=2-methyl-1-propanol O=C(O)c1cc(ccc1)C.CC(C)CO 2012-05-16T19:28:46Z 837 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 2-methyl-1-propanol CC(C)CO 1.403 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=2-methyl-1-propanol O=[N+]([O-])c1cc(C(=O)O)ccc1.CC(C)CO 2012-05-16T19:28:46Z 838 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 2-methyl-1-propanol CC(C)CO 1.192 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=2-methyl-1-propanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.CC(C)CO 2012-05-16T19:28:46Z 839 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 2-methyl-1-propanol CC(C)CO 0.233 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=2-methyl-1-propanol O=C(O)c1ccc(N)cc1.OCC(C)C 2012-05-16T19:28:46Z 840 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 2-methyl-1-propanol OCC(C)C 0.189 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=2-methyl-1-propanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OCC(C)C 2012-05-16T19:28:46Z 841 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 2-methyl-1-propanol OCC(C)C 0.190 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=2-methyl-1-propanol O=C(O)c1ccc(Cl)cc1.CC(C)CO 2012-05-16T19:28:46Z 842 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 2-methyl-1-propanol CC(C)CO 0.103 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=2-methyl-1-propanol O=C(O)c1ccc(O)cc1.OCC(C)C 2012-05-16T19:28:46Z 843 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 2-methyl-1-propanol OCC(C)C 1.398 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=2-methyl-1-propanol COc1ccc(cc1)C(O)=O.OCC(C)C 2012-05-16T19:28:46Z 844 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 2-methyl-1-propanol OCC(C)C 0.080 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=2-methyl-1-propanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OCC(C)C 2012-05-16T19:28:46Z 845 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 2-methyl-1-propanol OCC(C)C 0.070 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=2-methyl-1-propanol c1c[n+](ccc1[N+](=O)[O-])[O-].OCC(C)C 2012-05-16T19:28:46Z 846 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 2-methyl-1-propanol OCC(C)C 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=2-methyl-1-propanol O=C3c1ccccc1c2c3cccc2.OCC(C)C 2012-05-16T19:28:46Z 847 9-fluorenone O=C3c1ccccc1c2c3cccc2 2-methyl-1-propanol OCC(C)C 0.250 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=2-methyl-1-propanol c1cc2cccc3c2c(c1)CC3.OCC(C)C 2012-05-16T19:28:46Z 848 acenaphthene c1cc2cccc3c2c(c1)CC3 2-methyl-1-propanol OCC(C)C 0.182 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=2-methyl-1-propanol O=C(Oc1ccccc1C(=O)O)C.OCC(C)C 2012-05-16T19:28:46Z 849 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 2-methyl-1-propanol OCC(C)C 0.339 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=2-methyl-1-propanol c1ccc2cc3ccccc3cc2c1.OCC(C)C 2012-05-16T19:28:46Z 850 anthracene c1ccc2cc3ccccc3cc2c1 2-methyl-1-propanol OCC(C)C 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=2-methyl-1-propanol O=C(O)c1ccccc1.OCC(C)C 2012-05-16T19:28:46Z 851 benzoic acid O=C(O)c1ccccc1 2-methyl-1-propanol OCC(C)C 1.622 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=2-methyl-1-propanol c1ccc(cc1)C(C(=O)c2ccccc2)O.CC(C)CO 2012-05-16T19:28:46Z 852 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 2-methyl-1-propanol CC(C)CO 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=2-methyl-1-propanol c1ccc(cc1)c2ccccc2.CC(C)CO 2012-05-16T19:28:46Z 853 biphenyl c1ccc(cc1)c2ccccc2 2-methyl-1-propanol CC(C)CO 0.412 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=2-methyl-1-propanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.OCC(C)C 2012-05-16T19:28:46Z 854 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 2-methyl-1-propanol OCC(C)C 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=2-methyl-1-propanol c1ccc(cc1)OC(=O)Oc2ccccc2.CC(C)CO 2012-05-16T19:28:46Z 855 diphenyl carbonate c1ccc(cc1)OC(=O)Oc2ccccc2 2-methyl-1-propanol CC(C)CO 0.130 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+carbonate&solvent=2-methyl-1-propanol O=S(=O)(c1ccccc1)c2ccccc2.CC(C)CO 2012-05-16T19:28:46Z 856 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 2-methyl-1-propanol CC(C)CO 0.043 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=2-methyl-1-propanol Clc1ccc(NC(=O)N(C)C)cc1Cl.CC(C)CO 2012-05-16T19:28:46Z 857 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 2-methyl-1-propanol CC(C)CO 0.091 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=2-methyl-1-propanol c1c(c(cc(c1C)C)C)C.CC(C)CO 2012-05-16T19:28:46Z 858 durene c1c(c(cc(c1C)C)C)C 2-methyl-1-propanol CC(C)CO 0.460 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=2-methyl-1-propanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.OCC(C)C 2012-05-16T19:28:46Z 859 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 2-methyl-1-propanol OCC(C)C 0.053 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=2-methyl-1-propanol c1ccc-2c(c1)Cc3c2cccc3.CC(C)CO 2012-05-16T19:28:46Z 860 fluorene c1ccc-2c(c1)Cc3c2cccc3 2-methyl-1-propanol CC(C)CO 0.108 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=2-methyl-1-propanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.CC(C)CO 2012-05-16T19:28:46Z 861 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 2-methyl-1-propanol CC(C)CO 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=2-methyl-1-propanol O=C(O)C(c1ccc(cc1)CC(C)C)C.OCC(C)C 2012-05-16T19:28:46Z 862 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C 2-methyl-1-propanol OCC(C)C 1.760 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=2-methyl-1-propanol CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.OCC(C)C 2012-05-16T19:28:46Z 863 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O 2-methyl-1-propanol OCC(C)C 0.966 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=2-methyl-1-propanol O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.OCC(C)C 2012-05-16T19:28:46Z 864 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C 2-methyl-1-propanol OCC(C)C 0.092 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=2-methyl-1-propanol c1ccc2c(c1)ccc3c2cccc3.CC(C)CO 2012-05-16T19:28:46Z 865 phenanthrene c1ccc2c(c1)ccc3c2cccc3 2-methyl-1-propanol CC(C)CO 0.110 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=2-methyl-1-propanol c1ccc2c(c1)Nc3ccccc3S2.CC(C)CO 2012-05-16T19:28:46Z 866 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 2-methyl-1-propanol CC(C)CO 0.058 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=2-methyl-1-propanol O=C(Oc1ccccc1)c2ccccc2O.OCC(C)C 2012-05-16T19:28:46Z 867 phenyl salicylate O=C(Oc1ccccc1)c2ccccc2O 2-methyl-1-propanol OCC(C)C 1.102 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenyl+salicylate&solvent=2-methyl-1-propanol c1cc2ccc3cccc4c3c2c(c1)cc4.CC(C)CO 2012-05-16T19:28:46Z 868 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 2-methyl-1-propanol CC(C)CO 0.034 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=2-methyl-1-propanol O=C(c1ccccc1O)N.OCC(C)C 2012-05-16T19:28:46Z 869 salicylamide O=C(c1ccccc1O)N 2-methyl-1-propanol OCC(C)C 0.248 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=2-methyl-1-propanol O=C(O)c1ccccc1O.OCC(C)C 2012-05-16T19:28:46Z 870 salicylic acid O=C(O)c1ccccc1O 2-methyl-1-propanol OCC(C)C 1.527 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=2-methyl-1-propanol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CC(C)CO 2012-05-16T19:28:46Z 871 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 2-methyl-1-propanol CC(C)CO 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=2-methyl-1-propanol S1c3c(Sc2c1cccc2)cccc3.OCC(C)C 2012-05-16T19:28:46Z 872 thianthrene S1c3c(Sc2c1cccc2)cccc3 2-methyl-1-propanol OCC(C)C 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=2-methyl-1-propanol O=C1c3c(Sc2c1cccc2)cccc3.OCC(C)C 2012-05-16T19:28:46Z 873 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 2-methyl-1-propanol OCC(C)C 0.010 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=2-methyl-1-propanol c1ccc(cc1)/C=C/c2ccccc2.OCC(C)C 2012-05-16T19:28:46Z 874 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 2-methyl-1-propanol OCC(C)C 0.036 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=2-methyl-1-propanol O2c1ccccc1Cc3c2cccc3.OCC(C)C 2012-05-16T19:28:46Z 875 xanthene O2c1ccccc1Cc3c2cccc3 2-methyl-1-propanol OCC(C)C 0.120 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=2-methyl-1-propanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OC(C)(C)CC 2012-05-16T19:28:46Z 876 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 2-methyl-2-butanol OC(C)(C)CC 0.170 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=2-methyl-2-butanol c1c[n+](ccc1[N+](=O)[O-])[O-].OC(C)(C)CC 2012-05-16T19:28:46Z 877 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 2-methyl-2-butanol OC(C)(C)CC 0.051 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=2-methyl-2-butanol O=C3c1ccccc1c2c3cccc2.OC(C)(C)CC 2012-05-16T19:28:46Z 878 9-fluorenone O=C3c1ccccc1c2c3cccc2 2-methyl-2-butanol OC(C)(C)CC 0.400 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=2-methyl-2-butanol c1cc2cccc3c2c(c1)CC3.OC(C)(C)CC 2012-05-16T19:28:46Z 879 acenaphthene c1cc2cccc3c2c(c1)CC3 2-methyl-2-butanol OC(C)(C)CC 0.262 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=2-methyl-2-butanol O=C(Oc1ccccc1C(=O)O)C.OC(C)(C)CC 2012-05-16T19:28:46Z 880 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 2-methyl-2-butanol OC(C)(C)CC 0.735 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=2-methyl-2-butanol c1ccc(cc1)c2ccccc2.OC(C)(C)CC 2012-05-16T19:28:46Z 881 biphenyl c1ccc(cc1)c2ccccc2 2-methyl-2-butanol OC(C)(C)CC 0.637 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=2-methyl-2-butanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.OC(C)(C)CC 2012-05-16T19:28:46Z 882 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 2-methyl-2-butanol OC(C)(C)CC 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=2-methyl-2-butanol O=S(=O)(c1ccccc1)c2ccccc2.OC(C)(C)CC 2012-05-16T19:28:46Z 883 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 2-methyl-2-butanol OC(C)(C)CC 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=2-methyl-2-butanol Clc1ccc(NC(=O)N(C)C)cc1Cl.OC(C)(C)CC 2012-05-16T19:28:46Z 884 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 2-methyl-2-butanol OC(C)(C)CC 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=2-methyl-2-butanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.OC(C)(C)CC 2012-05-16T19:28:46Z 885 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 2-methyl-2-butanol OC(C)(C)CC 0.089 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=2-methyl-2-butanol c1ccc-2c(c1)Cc3c2cccc3.OC(C)(C)CC 2012-05-16T19:28:46Z 886 fluorene c1ccc-2c(c1)Cc3c2cccc3 2-methyl-2-butanol OC(C)(C)CC 0.170 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=2-methyl-2-butanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.OC(C)(C)CC 2012-05-16T19:28:46Z 887 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 2-methyl-2-butanol OC(C)(C)CC 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=2-methyl-2-butanol c1ccc2c(c1)ccc3c2cccc3.OC(C)(C)CC 2012-05-16T19:28:46Z 888 phenanthrene c1ccc2c(c1)ccc3c2cccc3 2-methyl-2-butanol OC(C)(C)CC 0.176 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=2-methyl-2-butanol S1c3c(Sc2c1cccc2)cccc3.OC(C)(C)CC 2012-05-16T19:28:46Z 889 thianthrene S1c3c(Sc2c1cccc2)cccc3 2-methyl-2-butanol OC(C)(C)CC 0.022 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=2-methyl-2-butanol O=C1c3c(Sc2c1cccc2)cccc3.OC(C)(C)CC 2012-05-16T19:28:46Z 890 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 2-methyl-2-butanol OC(C)(C)CC 0.014 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=2-methyl-2-butanol c1ccc(cc1)/C=C/c2ccccc2.OC(C)(C)CC 2012-05-16T19:28:46Z 891 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 2-methyl-2-butanol OC(C)(C)CC 0.053 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=2-methyl-2-butanol O2c1ccccc1Cc3c2cccc3.OC(C)(C)CC 2012-05-16T19:28:46Z 892 xanthene O2c1ccccc1Cc3c2cccc3 2-methyl-2-butanol OC(C)(C)CC 0.180 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=2-methyl-2-butanol [O-][N+](=O)c2cccc1ccccc12.CC(C)(C)O 2012-05-16T19:28:46Z 893 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 2-methyl-2-propanol CC(C)(C)O 0.245 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=2-methyl-2-propanol Brc1ccc(Br)cc1.OC(C)(C)C 2012-05-16T19:28:46Z 894 1,4-dibromobenzene Brc1ccc(Br)cc1 2-methyl-2-propanol OC(C)(C)C 0.342 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=2-methyl-2-propanol O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.OC(C)(C)C 2012-05-16T19:28:46Z 895 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O 2-methyl-2-propanol OC(C)(C)C 1.210 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=2-methyl-2-propanol O=C(O)c1ccccc1OC.OC(C)(C)C 2012-05-16T19:28:46Z 896 2-methoxybenzoic acid O=C(O)c1ccccc1OC 2-methyl-2-propanol OC(C)(C)C 0.530 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=2-methyl-2-propanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.OC(C)(C)C 2012-05-16T19:28:46Z 897 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 2-methyl-2-propanol OC(C)(C)C 0.155 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=2-methyl-2-propanol n2c1ccccc1nc2C.OC(C)(C)C 2012-05-16T19:28:46Z 898 2-methylbenzimidazole n2c1ccccc1nc2C 2-methyl-2-propanol OC(C)(C)C 1.330 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzimidazole&solvent=2-methyl-2-propanol O=C(O)c1ccccc1C.OC(C)(C)C 2012-05-16T19:28:46Z 899 2-methylbenzoic acid O=C(O)c1ccccc1C 2-methyl-2-propanol OC(C)(C)C 2.190 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=2-methyl-2-propanol O=C(O)c1cc(ccc1)C.OC(C)(C)C 2012-05-16T19:28:46Z 900 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 2-methyl-2-propanol OC(C)(C)C 2.314 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=2-methyl-2-propanol O=[N+]([O-])c1cc(C(=O)O)ccc1.CC(C)(C)O 2012-05-16T19:28:46Z 901 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 2-methyl-2-propanol CC(C)(C)O 2.243 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=2-methyl-2-propanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OC(C)(C)C 2012-05-16T19:28:46Z 902 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 2-methyl-2-propanol OC(C)(C)C 0.380 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=2-methyl-2-propanol O=C(O)c1ccc(Cl)cc1.OC(C)(C)C 2012-05-16T19:28:46Z 903 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 2-methyl-2-propanol OC(C)(C)C 0.219 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=2-methyl-2-propanol COc1ccc(cc1)C(O)=O.OC(C)(C)C 2012-05-16T19:28:46Z 904 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 2-methyl-2-propanol OC(C)(C)C 0.170 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=2-methyl-2-propanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OC(C)(C)C 2012-05-16T19:28:46Z 905 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 2-methyl-2-propanol OC(C)(C)C 0.150 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=2-methyl-2-propanol c1c[n+](ccc1[N+](=O)[O-])[O-].OC(C)(C)C 2012-05-16T19:28:46Z 906 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 2-methyl-2-propanol OC(C)(C)C 0.046 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=2-methyl-2-propanol O=C3c1ccccc1c2c3cccc2.OC(C)(C)C 2012-05-16T19:28:46Z 907 9-fluorenone O=C3c1ccccc1c2c3cccc2 2-methyl-2-propanol OC(C)(C)C 0.310 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=2-methyl-2-propanol c1cc2cccc3c2c(c1)CC3.OC(C)(C)C 2012-05-16T19:28:46Z 908 acenaphthene c1cc2cccc3c2c(c1)CC3 2-methyl-2-propanol OC(C)(C)C 0.184 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=2-methyl-2-propanol O=C(Oc1ccccc1C(=O)O)C.OC(C)(C)C 2012-05-16T19:28:46Z 909 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 2-methyl-2-propanol OC(C)(C)C 0.717 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=2-methyl-2-propanol C(CCC(=O)O)CC(=O)O.CC(C)(C)O 2012-05-16T19:28:46Z 910 adipic acid C(CCC(=O)O)CC(=O)O 2-methyl-2-propanol CC(C)(C)O 0.616 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adipic+acid&solvent=2-methyl-2-propanol c1ccc2cc3ccccc3cc2c1.OC(C)(C)C 2012-05-16T19:28:46Z 911 anthracene c1ccc2cc3ccccc3cc2c1 2-methyl-2-propanol OC(C)(C)C 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=2-methyl-2-propanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.CC(C)(C)O 2012-05-16T19:28:46Z 912 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 2-methyl-2-propanol CC(C)(C)O 0.114 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=2-methyl-2-propanol c1ccc2c(c1)[nH]cn2.OC(C)(C)C 2012-05-16T19:28:46Z 913 benzimidazole c1ccc2c(c1)[nH]cn2 2-methyl-2-propanol OC(C)(C)C 1.282 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=2-methyl-2-propanol c1ccc(cc1)C(C(=O)c2ccccc2)O.CC(C)(C)O 2012-05-16T19:28:46Z 914 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 2-methyl-2-propanol CC(C)(C)O 0.022 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=2-methyl-2-propanol c1ccc(cc1)c2ccccc2.CC(C)(C)O 2012-05-16T19:28:46Z 915 biphenyl c1ccc(cc1)c2ccccc2 2-methyl-2-propanol CC(C)(C)O 0.435 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=2-methyl-2-propanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.OC(C)(C)C 2012-05-16T19:28:46Z 916 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 2-methyl-2-propanol OC(C)(C)C 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=2-methyl-2-propanol O=S(=O)(c1ccccc1)c2ccccc2.CC(C)(C)O 2012-05-16T19:28:46Z 917 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 2-methyl-2-propanol CC(C)(C)O 0.046 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=2-methyl-2-propanol Clc1ccc(NC(=O)N(C)C)cc1Cl.CC(C)(C)O 2012-05-16T19:28:46Z 918 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 2-methyl-2-propanol CC(C)(C)O 0.070 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=2-methyl-2-propanol c1c(c(cc(c1C)C)C)C.CC(C)(C)O 2012-05-16T19:28:46Z 919 durene c1c(c(cc(c1C)C)C)C 2-methyl-2-propanol CC(C)(C)O 0.562 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=2-methyl-2-propanol c1ccc-2c(c1)Cc3c2cccc3.CC(C)(C)O 2012-05-16T19:28:46Z 920 fluorene c1ccc-2c(c1)Cc3c2cccc3 2-methyl-2-propanol CC(C)(C)O 0.110 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=2-methyl-2-propanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.CC(C)(C)O 2012-05-16T19:28:46Z 921 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 2-methyl-2-propanol CC(C)(C)O 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=2-methyl-2-propanol c1ccc2c(c1)Nc3ccccc3S2.CC(C)(C)O 2012-05-16T19:28:46Z 922 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 2-methyl-2-propanol CC(C)(C)O 0.063 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=2-methyl-2-propanol c1cc2ccc3cccc4c3c2c(c1)cc4.CC(C)(C)O 2012-05-16T19:28:46Z 923 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 2-methyl-2-propanol CC(C)(C)O 0.034 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=2-methyl-2-propanol O=C(c1ccccc1O)N.OC(C)(C)C 2012-05-16T19:28:46Z 924 salicylamide O=C(c1ccccc1O)N 2-methyl-2-propanol OC(C)(C)C 0.317 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=2-methyl-2-propanol O=C(O)c1ccccc1O.OC(C)(C)C 2012-05-16T19:28:46Z 925 salicylic acid O=C(O)c1ccccc1O 2-methyl-2-propanol OC(C)(C)C 2.333 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=2-methyl-2-propanol O=C1c3c(Sc2c1cccc2)cccc3.OC(C)(C)C 2012-05-16T19:28:46Z 926 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 2-methyl-2-propanol OC(C)(C)C 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=2-methyl-2-propanol O2c1ccccc1Cc3c2cccc3.OC(C)(C)C 2012-05-16T19:28:46Z 927 xanthene O2c1ccccc1Cc3c2cccc3 2-methyl-2-propanol OC(C)(C)C 0.120 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=2-methyl-2-propanol ClC(Cl)(Cl)C(Cl)(Cl)Cl.CC(C)CCC 2012-05-16T19:28:46Z 928 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl 2-methylpentane CC(C)CCC 1.019 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=2-methylpentane [O-][N+](=O)c2cccc1ccccc12.OC(C)CCC 2012-05-16T19:28:46Z 929 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 2-pentanol OC(C)CCC 0.296 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=2-pentanol Brc1ccc(Br)cc1.OC(C)CCC 2012-05-16T19:28:46Z 930 1,4-dibromobenzene Brc1ccc(Br)cc1 2-pentanol OC(C)CCC 0.410 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=2-pentanol O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.OC(C)CCC 2012-05-16T19:28:46Z 931 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O 2-pentanol OC(C)CCC 0.760 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=2-pentanol O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.OC(C)CCC 2012-05-16T19:28:46Z 932 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC 2-pentanol OC(C)CCC 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=2-pentanol O=C(O)c1ccccc1OC.OC(C)CCC 2012-05-16T19:28:46Z 933 2-methoxybenzoic acid O=C(O)c1ccccc1OC 2-pentanol OC(C)CCC 0.390 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=2-pentanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.OC(C)CCC 2012-05-16T19:28:46Z 934 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 2-pentanol OC(C)CCC 0.137 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=2-pentanol O=C(O)c1ccccc1C.OC(C)CCC 2012-05-16T19:28:46Z 935 2-methylbenzoic acid O=C(O)c1ccccc1C 2-pentanol OC(C)CCC 1.680 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=2-pentanol O=C(O)c1cc(ccc1)C.OC(C)CCC 2012-05-16T19:28:46Z 936 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 2-pentanol OC(C)CCC 1.775 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=2-pentanol O=[N+]([O-])c1cc(C(=O)O)ccc1.OC(C)CCC 2012-05-16T19:28:46Z 937 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 2-pentanol OC(C)CCC 1.604 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=2-pentanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.OC(C)CCC 2012-05-16T19:28:46Z 938 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 2-pentanol OC(C)CCC 0.302 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=2-pentanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OC(C)CCC 2012-05-16T19:28:46Z 939 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 2-pentanol OC(C)CCC 0.300 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=2-pentanol O=C(O)c1ccc(Cl)cc1.OC(C)CCC 2012-05-16T19:28:46Z 940 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 2-pentanol OC(C)CCC 0.152 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=2-pentanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OC(C)CCC 2012-05-16T19:28:46Z 941 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 2-pentanol OC(C)CCC 0.080 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=2-pentanol c1c[n+](ccc1[N+](=O)[O-])[O-].OC(C)CCC 2012-05-16T19:28:46Z 942 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 2-pentanol OC(C)CCC 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=2-pentanol O=C3c1ccccc1c2c3cccc2.OC(C)CCC 2012-05-16T19:28:46Z 943 9-fluorenone O=C3c1ccccc1c2c3cccc2 2-pentanol OC(C)CCC 0.350 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=2-pentanol c1cc2cccc3c2c(c1)CC3.OC(C)CCC 2012-05-16T19:28:46Z 944 acenaphthene c1cc2cccc3c2c(c1)CC3 2-pentanol OC(C)CCC 0.223 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=2-pentanol O=C(Oc1ccccc1C(=O)O)C.OC(C)CCC 2012-05-16T19:28:46Z 945 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 2-pentanol OC(C)CCC 0.394 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=2-pentanol c1ccc2cc3ccccc3cc2c1.OC(C)CCC 2012-05-16T19:28:46Z 946 anthracene c1ccc2cc3ccccc3cc2c1 2-pentanol OC(C)CCC 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=2-pentanol c1ccc(cc1)C(C(=O)c2ccccc2)O.OC(C)CCC 2012-05-16T19:28:46Z 947 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 2-pentanol OC(C)CCC 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=2-pentanol c1ccc(cc1)c2ccccc2.OC(C)CCC 2012-05-16T19:28:46Z 948 biphenyl c1ccc(cc1)c2ccccc2 2-pentanol OC(C)CCC 0.583 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=2-pentanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.OC(C)CCC 2012-05-16T19:28:46Z 949 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 2-pentanol OC(C)CCC 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=2-pentanol O=C(O)C=Cc1ccccc1.OC(C)CCC 2012-05-16T19:28:46Z 950 cinnamic acid O=C(O)C=Cc1ccccc1 2-pentanol OC(C)CCC 0.679 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=2-pentanol O=S(=O)(c1ccccc1)c2ccccc2.OC(C)CCC 2012-05-16T19:28:46Z 951 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 2-pentanol OC(C)CCC 0.041 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=2-pentanol Clc1ccc(NC(=O)N(C)C)cc1Cl.OC(C)CCC 2012-05-16T19:28:46Z 952 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 2-pentanol OC(C)CCC 0.082 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=2-pentanol c1c(c(cc(c1C)C)C)C.OC(C)CCC 2012-05-16T19:28:46Z 953 durene c1c(c(cc(c1C)C)C)C 2-pentanol OC(C)CCC 0.623 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=2-pentanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.OC(C)CCC 2012-05-16T19:28:46Z 954 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 2-pentanol OC(C)CCC 0.093 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=2-pentanol c1ccc-2c(c1)Cc3c2cccc3.OC(C)CCC 2012-05-16T19:28:46Z 955 fluorene c1ccc-2c(c1)Cc3c2cccc3 2-pentanol OC(C)CCC 0.149 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=2-pentanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.OC(C)CCC 2012-05-16T19:28:46Z 956 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 2-pentanol OC(C)CCC 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=2-pentanol CCCCCCCCCCCCCCCC(=O)O.OC(C)CCC 2012-05-16T19:28:46Z 957 palmitic acid CCCCCCCCCCCCCCCC(=O)O 2-pentanol OC(C)CCC 0.797 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=palmitic+acid&solvent=2-pentanol c1ccc2c(c1)ccc3c2cccc3.OC(C)CCC 2012-05-16T19:28:46Z 958 phenanthrene c1ccc2c(c1)ccc3c2cccc3 2-pentanol OC(C)CCC 0.161 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=2-pentanol c1ccc2c(c1)Nc3ccccc3S2.OC(C)CCC 2012-05-16T19:28:46Z 959 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 2-pentanol OC(C)CCC 0.080 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=2-pentanol c1ccc(c(c1)C(=O)O)O.OC(C)CCC 2012-05-16T19:28:46Z 960 salicylic acid c1ccc(c(c1)C(=O)O)O 2-pentanol OC(C)CCC 1.647 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=2-pentanol S1c3c(Sc2c1cccc2)cccc3.OC(C)CCC 2012-05-16T19:28:46Z 961 thianthrene S1c3c(Sc2c1cccc2)cccc3 2-pentanol OC(C)CCC 0.019 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=2-pentanol O=C1c3c(Sc2c1cccc2)cccc3.OC(C)CCC 2012-05-16T19:28:46Z 962 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 2-pentanol OC(C)CCC 0.013 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=2-pentanol c1ccc(cc1)/C=C/c2ccccc2.OC(C)CCC 2012-05-16T19:28:46Z 963 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 2-pentanol OC(C)CCC 0.049 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=2-pentanol O2c1ccccc1Cc3c2cccc3.OC(C)CCC 2012-05-16T19:28:46Z 964 xanthene O2c1ccccc1Cc3c2cccc3 2-pentanol OC(C)CCC 0.160 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=2-pentanol O=C(O)Cn1nnnc1.CC(C)O 2012-05-16T19:28:46Z 965 1-H-tetrazole-1-acetic acid O=C(O)Cn1nnnc1 2-propanol CC(C)O 0.649 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-H-tetrazole-1-acetic+acid&solvent=2-propanol [O-][N+](=O)c2cccc1ccccc12.CC(C)O 2012-05-16T19:28:46Z 966 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 2-propanol CC(C)O 0.276 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=2-propanol n1cnnc1.CC(O)C 2012-05-16T19:28:46Z 967 1,2,4-triazole n1cnnc1 2-propanol CC(O)C 2.434 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,4-triazole&solvent=2-propanol O=C(OCC)C1C(=O)CC(C(=O)C1)C(=O)OCC.CC(C)O 2012-05-16T19:28:46Z 968 1,4-cyclohexanedione-2,5-dicarboxylate O=C(OCC)C1C(=O)CC(C(=O)C1)C(=O)OCC 2-propanol CC(C)O 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-cyclohexanedione-2,5-dicarboxylate&solvent=2-propanol c1c(cc(c(c1Cl)OCCBr)Cl)Cl.CC(C)O 2012-05-16T19:28:46Z 969 2-(2,4,6-trichlorophenoxy)ethyl bromide c1c(cc(c(c1Cl)OCCBr)Cl)Cl 2-propanol CC(C)O 0.153 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(2,4,6-trichlorophenoxy)ethyl+bromide&solvent=2-propanol O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC.CC(C)O 2012-05-16T19:28:46Z 970 2-(4-ethylbenzoyl)benzoic acid O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC 2-propanol CC(C)O 0.152 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(4-ethylbenzoyl)benzoic+acid&solvent=2-propanol O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2.CC(C)O 2012-05-16T19:28:46Z 971 2-amino-5-nitrobenzophenone O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2 2-propanol CC(C)O 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-amino-5-nitrobenzophenone&solvent=2-propanol O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.OC(C)C 2012-05-16T19:28:46Z 972 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O 2-propanol OC(C)C 1.130 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=2-propanol O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.CC(O)C 2012-05-16T19:28:46Z 973 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC 2-propanol CC(O)C 0.033 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=2-propanol O=C(O)c1ccccc1OC.OC(C)C 2012-05-16T19:28:46Z 974 2-methoxybenzoic acid O=C(O)c1ccccc1OC 2-propanol OC(C)C 0.590 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=2-propanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.CC(O)C 2012-05-16T19:28:46Z 975 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 2-propanol CC(O)C 0.196 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=2-propanol O=C(O)c1ccccc1C.OC(C)C 2012-05-16T19:28:46Z 976 2-methylbenzoic acid O=C(O)c1ccccc1C 2-propanol OC(C)C 1.950 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=2-propanol c1cc(nc(c1)N)N.CC(C)O 2012-05-16T19:28:46Z 977 2,6-diaminopyridine c1cc(nc(c1)N)N 2-propanol CC(C)O 1.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,6-diaminopyridine&solvent=2-propanol O=C(O)c1cc(Cl)ccc1.CC(C)O 2012-05-16T19:28:46Z 978 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 2-propanol CC(C)O 1.150 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=2-propanol O=C(O)c1cc(ccc1)C.CC(C)O 2012-05-16T19:28:46Z 979 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 2-propanol CC(C)O 1.994 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=2-propanol O=[N+]([O-])c1cc(C(=O)O)ccc1.CC(C)O 2012-05-16T19:28:46Z 980 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 2-propanol CC(C)O 2.064 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=2-propanol [O-][N+](=O)c1cccc2c1C(=O)NC2=O.CC(C)O 2012-05-16T19:28:46Z 981 3-nitrophthalimide [O-][N+](=O)c1cccc2c1C(=O)NC2=O 2-propanol CC(C)O 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalimide&solvent=2-propanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.CC(C)O 2012-05-16T19:28:46Z 982 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 2-propanol CC(C)O 0.437 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=2-propanol Clc1ccc(cc1Cl)C3c2ccccc2C(=O)CC3.CC(C)O 2012-05-16T19:28:46Z 983 4-(3,4-dichlorophenyl)-1-tetralone Clc1ccc(cc1Cl)C3c2ccccc2C(=O)CC3 2-propanol CC(C)O 0.036 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-(3,4-dichlorophenyl)-1-tetralone&solvent=2-propanol O=C(O)c1ccc(N)cc1.CC(O)C 2012-05-16T19:28:46Z 984 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 2-propanol CC(O)C 0.419 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=2-propanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OC(C)C 2012-05-16T19:28:46Z 985 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 2-propanol OC(C)C 0.390 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=2-propanol O=C(O)c1ccc(Cl)cc1.CC(C)O 2012-05-16T19:28:46Z 986 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 2-propanol CC(C)O 0.167 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=2-propanol O=C(O)c1ccc(O)cc1.CC(O)C 2012-05-16T19:28:46Z 987 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 2-propanol CC(O)C 1.759 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=2-propanol O=C(O)Cc1ccc(O)cc1.CC(O)C 2012-05-16T19:28:46Z 988 4-hydroxyphenylacetic acid O=C(O)Cc1ccc(O)cc1 2-propanol CC(O)C 2.676 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxyphenylacetic+acid&solvent=2-propanol COc1ccc(cc1)C(O)=O.OC(C)C 2012-05-16T19:28:46Z 989 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 2-propanol OC(C)C 0.140 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=2-propanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OC(C)C 2012-05-16T19:28:46Z 990 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 2-propanol OC(C)C 0.110 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=2-propanol c1c[n+](ccc1[N+](=O)[O-])[O-].CC(O)C 2012-05-16T19:28:46Z 991 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 2-propanol CC(O)C 0.033 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=2-propanol O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3.CC(C)O 2012-05-16T19:28:46Z 992 4-pyrenebutanoic acid O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3 2-propanol CC(C)O 0.060 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-pyrenebutanoic+acid&solvent=2-propanol Fc1cc2c(cc1)NC(=O)C2=O.CC(C)O 2012-05-16T19:28:46Z 993 5-fluoroisatin Fc1cc2c(cc1)NC(=O)C2=O 2-propanol CC(C)O 0.039 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluoroisatin&solvent=2-propanol O=C3c1ccccc1c2c3cccc2.OC(C)C 2012-05-16T19:28:46Z 994 9-fluorenone O=C3c1ccccc1c2c3cccc2 2-propanol OC(C)C 0.290 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=2-propanol c1cc2cccc3c2c(c1)CC3.CC(C)O 2012-05-16T19:28:46Z 995 acenaphthene c1cc2cccc3c2c(c1)CC3 2-propanol CC(C)O 0.172 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=2-propanol O=C(NP(=O)(OC)SC)C.CC(O)C 2012-05-16T19:28:46Z 996 acephate O=C(NP(=O)(OC)SC)C 2-propanol CC(O)C 0.756 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acephate&solvent=2-propanol O=C(Nc1ccc(O)cc1)C.CC(O)C 2012-05-16T19:28:46Z 997 acetaminophen O=C(Nc1ccc(O)cc1)C 2-propanol CC(O)C 0.696 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=2-propanol O=C(Oc1ccccc1C(=O)O)C.CC(O)C 2012-05-16T19:28:46Z 998 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 2-propanol CC(O)C 0.660 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=2-propanol C(CCC(=O)O)CC(=O)O.CC(C)O 2012-05-16T19:28:46Z 999 adipic acid C(CCC(=O)O)CC(=O)O 2-propanol CC(C)O 0.458 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adipic+acid&solvent=2-propanol c1ccc2cc3ccccc3cc2c1.CC(O)C 2012-05-16T19:28:46Z 1000 anthracene c1ccc2cc3ccccc3cc2c1 2-propanol CC(O)C 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=2-propanol c1ccc2c(c1)C(=O)c3ccccc3C2=O.CC(C)O 2012-05-16T19:28:46Z 1001 anthraquinone c1ccc2c(c1)C(=O)c3ccccc3C2=O 2-propanol CC(C)O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthraquinone&solvent=2-propanol O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO.CC(O)C 2012-05-16T19:28:46Z 1002 ascorbic acid O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO 2-propanol CC(O)C 0.008 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ascorbic+acid&solvent=2-propanol c1ccc(cc1)/C=N/c2ccccc2.CC(C)O 2012-05-16T19:28:46Z 1003 benzalaniline c1ccc(cc1)/C=N/c2ccccc2 2-propanol CC(C)O 1.431 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzalaniline&solvent=2-propanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.CC(C)O 2012-05-16T19:28:46Z 1004 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 2-propanol CC(C)O 0.107 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=2-propanol c1ccc2c(c1)[nH]cn2.CC(C)O 2012-05-16T19:28:46Z 1005 benzimidazole c1ccc2c(c1)[nH]cn2 2-propanol CC(C)O 0.966 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=2-propanol O=C(O)c1ccccc1.CC(O)C 2012-05-16T19:28:46Z 1006 benzoic acid O=C(O)c1ccccc1 2-propanol CC(O)C 2.381 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=2-propanol c1ccc(cc1)C(C(=O)c2ccccc2)O.CC(C)O 2012-05-16T19:28:46Z 1007 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 2-propanol CC(C)O 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=2-propanol O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5.CC(C)O 2012-05-16T19:28:46Z 1008 betulinic acid O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5 2-propanol CC(C)O 0.013 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=betulinic+acid&solvent=2-propanol c1ccc(cc1)c2ccccc2.CC(C)O 2012-05-16T19:28:46Z 1009 biphenyl c1ccc(cc1)c2ccccc2 2-propanol CC(C)O 0.449 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=2-propanol c1cccc2oc(nc12)CSCc3nc4ccccc4o3.CC(C)O 2012-05-16T19:28:46Z 1010 bis(benzoxazolyl-2-methyl)sulfide c1cccc2oc(nc12)CSCc3nc4ccccc4o3 2-propanol CC(C)O 0.128 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=bis(benzoxazolyl-2-methyl)sulfide&solvent=2-propanol O=C(OC(C)(C)C)NCC(=O)O.CC(C)O 2012-05-16T19:28:46Z 1011 boc-glycine O=C(OC(C)(C)C)NCC(=O)O 2-propanol CC(C)O 3.625 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-glycine&solvent=2-propanol O=C1NCCCCC1.CC(O)C 2012-05-16T19:28:46Z 1012 caprolactam O=C1NCCCCC1 2-propanol CC(O)C 3.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caprolactam&solvent=2-propanol O=C(O)[C@H]1N(C(=O)[C@H](C)CS)CCC1.CC(C)O 2012-05-16T19:28:46Z 1013 captopril O=C(O)[C@H]1N(C(=O)[C@H](C)CS)CCC1 2-propanol CC(C)O 1.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=captopril&solvent=2-propanol c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N.CC(O)C 2012-05-16T19:28:46Z 1014 carbamazepine c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N 2-propanol CC(O)C 0.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbamazepine&solvent=2-propanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.CC(O)C 2012-05-16T19:28:46Z 1015 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 2-propanol CC(O)C 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=2-propanol N#CN\C(=N/C)NCCSCc1ncnc1C.CC(O)C 2012-05-16T19:28:46Z 1016 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C 2-propanol CC(O)C 0.049 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=2-propanol O=C(O)C=Cc1ccccc1.CC(O)C 2012-05-16T19:28:46Z 1017 cinnamic acid O=C(O)C=Cc1ccccc1 2-propanol CC(O)C 0.949 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=2-propanol O=C(OC)\C=C\C(=O)OC.CC(O)C 2012-05-16T19:28:46Z 1018 dimethyl fumarate O=C(OC)\C=C\C(=O)OC 2-propanol CC(O)C 0.070 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dimethyl+fumarate&solvent=2-propanol c1ccc(cc1)OC(=O)Oc2ccccc2.CC(C)O 2012-05-16T19:28:46Z 1019 diphenyl carbonate c1ccc(cc1)OC(=O)Oc2ccccc2 2-propanol CC(C)O 0.136 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+carbonate&solvent=2-propanol O=S(=O)(c1ccccc1)c2ccccc2.CC(C)O 2012-05-16T19:28:46Z 1020 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 2-propanol CC(C)O 0.046 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=2-propanol Clc1ccc(NC(=O)N(C)C)cc1Cl.CC(C)O 2012-05-16T19:28:46Z 1021 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 2-propanol CC(C)O 0.100 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=2-propanol c1c(c(cc(c1C)C)C)C.CC(C)O 2012-05-16T19:28:46Z 1022 durene c1c(c(cc(c1C)C)C)C 2-propanol CC(C)O 0.444 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=2-propanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.CC(C)O 2012-05-16T19:28:46Z 1023 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 2-propanol CC(C)O 0.061 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=2-propanol c1ccc-2c(c1)Cc3c2cccc3.CC(C)O 2012-05-16T19:28:46Z 1024 fluorene c1ccc-2c(c1)Cc3c2cccc3 2-propanol CC(C)O 0.124 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=2-propanol C(=C/C(=O)O)\C(=O)O.CC(C)O 2012-05-16T19:28:46Z 1025 fumaric acid C(=C/C(=O)O)\C(=O)O 2-propanol CC(C)O 0.270 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fumaric+acid&solvent=2-propanol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.CC(C)O 2012-05-16T19:28:46Z 1026 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F 2-propanol CC(C)O 0.148 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=2-propanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.CC(O)C 2012-05-16T19:28:46Z 1027 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 2-propanol CC(O)C 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=2-propanol c1cc(ccc1O)O.CC(O)C 2012-05-16T19:28:46Z 1028 hydroquinone c1cc(ccc1O)O 2-propanol CC(O)C 2.089 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydroquinone&solvent=2-propanol O=C(O)C(c1ccc(cc1)CC(C)C)C.OC(C)C 2012-05-16T19:28:46Z 1029 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C 2-propanol OC(C)C 2.220 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=2-propanol c1cnccc1C(=O)O.CC(C)O 2012-05-16T19:28:46Z 1030 isonicotinic acid c1cnccc1C(=O)O 2-propanol CC(C)O 0.007 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isonicotinic+acid&solvent=2-propanol O=C(O)c1cccc(C(=O)O)c1.CC(C)O 2012-05-16T19:28:46Z 1031 isophthalic acid O=C(O)c1cccc(C(=O)O)c1 2-propanol CC(C)O 0.052 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isophthalic+acid&solvent=2-propanol O=C(O)\C(=C)CC(=O)O.CC(O)C 2012-05-16T19:28:46Z 1032 itaconic acid O=C(O)\C(=C)CC(=O)O 2-propanol CC(O)C 1.125 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=itaconic+acid&solvent=2-propanol CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.CC(O)C 2012-05-16T19:28:46Z 1033 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O 2-propanol CC(O)C 1.361 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=2-propanol O=C(O)CCCCCCCCCCC.CC(C)O 2012-05-16T19:28:46Z 1034 lauric acid O=C(O)CCCCCCCCCCC 2-propanol CC(C)O 2.419 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lauric+acid&solvent=2-propanol O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cc(O)cc3O.CC(O)C 2012-05-16T19:28:46Z 1035 luteolin O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cc(O)cc3O 2-propanol CC(O)C 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=luteolin&solvent=2-propanol O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.CC(C)O 2012-05-16T19:28:46Z 1036 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C 2-propanol CC(C)O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=2-propanol N\C1=C\C(=N/C(=N)N1O)N2CCCCC2.CC(C)O 2012-05-16T19:28:46Z 1037 minoxidil N\C1=C\C(=N/C(=N)N1O)N2CCCCC2 2-propanol CC(C)O 0.051 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=minoxidil&solvent=2-propanol Clc1ccc(NC(=O)N(C)C)cc1.CC(O)C 2012-05-16T19:28:46Z 1038 monuron Clc1ccc(NC(=O)N(C)C)cc1 2-propanol CC(O)C 0.105 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=2-propanol O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.CC(O)C 2012-05-16T19:28:46Z 1039 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C 2-propanol CC(O)C 0.172 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=2-propanol O=S(=O)(c1ccc(N)cc1)N.CC(C)O 2012-05-16T19:28:46Z 1040 p-aminobenzenesulfonamide O=S(=O)(c1ccc(N)cc1)N 2-propanol CC(C)O 0.022 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-aminobenzenesulfonamide&solvent=2-propanol CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)O)(C)C.OC(C)C 2012-05-16T19:28:46Z 1041 paclitaxel CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)O)(C)C 2-propanol OC(C)C 0.014 multiple n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=paclitaxel&solvent=2-propanol CCCCCCCCCCCCCCCC(=O)O.CC(C)O 2012-05-16T19:28:46Z 1042 palmitic acid CCCCCCCCCCCCCCCC(=O)O 2-propanol CC(C)O 0.771 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=palmitic+acid&solvent=2-propanol c1ccc2c(c1)ccc3c2cccc3.CC(O)C 2012-05-16T19:28:46Z 1043 phenanthrene c1ccc2c(c1)ccc3c2cccc3 2-propanol CC(O)C 0.126 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=2-propanol O=Cc2cc3c(c1c2cccc1)cccc3.CC(C)O 2012-05-16T19:28:46Z 1044 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 2-propanol CC(C)O 0.070 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=2-propanol c1ccc2c(c1)Nc3ccccc3S2.CC(C)O 2012-05-16T19:28:46Z 1045 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 2-propanol CC(C)O 0.078 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=2-propanol O=C(Oc1ccccc1)c2ccccc2O.CC(O)C 2012-05-16T19:28:46Z 1046 phenyl salicylate O=C(Oc1ccccc1)c2ccccc2O 2-propanol CC(O)C 1.180 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenyl+salicylate&solvent=2-propanol O=C(O)Cc1ccccc1.CC(O)C 2012-05-16T19:28:46Z 1047 phenylacetic acid O=C(O)Cc1ccccc1 2-propanol CC(O)C 4.142 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=2-propanol O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2.CC(C)O 2012-05-16T19:28:46Z 1048 phloretin O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2 2-propanol CC(C)O 0.466 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phloretin&solvent=2-propanol Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5.CC(O)C 2012-05-16T19:28:46Z 1049 pimozide Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5 2-propanol CC(O)C 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimozide&solvent=2-propanol COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4.CC(C)O 2012-05-16T19:28:46Z 1050 podophyllotoxin COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4 2-propanol CC(C)O 0.063 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=podophyllotoxin&solvent=2-propanol c1cc2ccc3cccc4c3c2c(c1)cc4.CC(C)O 2012-05-16T19:28:46Z 1051 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 2-propanol CC(C)O 0.038 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=2-propanol C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O.CC(C)O 2012-05-16T19:28:46Z 1052 rutin C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O 2-propanol CC(C)O 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=rutin&solvent=2-propanol O=C(c1ccccc1O)N.CC(O)C 2012-05-16T19:28:46Z 1053 salicylamide O=C(c1ccccc1O)N 2-propanol CC(O)C 0.430 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=2-propanol O=C(O)c1ccccc1O.CC(O)C 2012-05-16T19:28:46Z 1054 salicylic acid O=C(O)c1ccccc1O 2-propanol CC(O)C 2.226 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=2-propanol O=C(O)CCCCCCCCCCCCCCCCC.OC(C)C 2012-05-16T19:28:46Z 1055 stearic acid O=C(O)CCCCCCCCCCCCCCCCC 2-propanol OC(C)C 0.186 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=stearic+acid&solvent=2-propanol OC(CCC(O)=O)=O.OC(C)C 2012-05-16T19:28:46Z 1056 succinic acid OC(CCC(O)=O)=O 2-propanol OC(C)C 0.388 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=succinic+acid&solvent=2-propanol Cl[C@H]2[C@H](O[C@H](O[C@@]1(O[C@@H]([C@@H](O)[C@@H]1O)CCl)CCl)[C@H](O)[C@H]2O)CO.CC(C)O 2012-05-16T19:28:46Z 1057 sucralose Cl[C@H]2[C@H](O[C@H](O[C@@]1(O[C@@H]([C@@H](O)[C@@H]1O)CCl)CCl)[C@H](O)[C@H]2O)CO 2-propanol CC(C)O 0.069 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sucralose&solvent=2-propanol O=S(=O)(Nc1ncccn1)c2ccc(N)cc2.CC(O)C 2012-05-16T19:28:46Z 1058 sulfadiazine O=S(=O)(Nc1ncccn1)c2ccc(N)cc2 2-propanol CC(O)C 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfadiazine&solvent=2-propanol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CC(C)O 2012-05-16T19:28:46Z 1059 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 2-propanol CC(C)O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=2-propanol S1c3c(Sc2c1cccc2)cccc3.CC(O)C 2012-05-16T19:28:46Z 1060 thianthrene S1c3c(Sc2c1cccc2)cccc3 2-propanol CC(O)C 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=2-propanol O=C1c3c(Sc2c1cccc2)cccc3.CC(O)C 2012-05-16T19:28:46Z 1061 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 2-propanol CC(O)C 0.009 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=2-propanol c1ccc(cc1)/C=C/c2ccccc2.CC(O)C 2012-05-16T19:28:46Z 1062 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 2-propanol CC(O)C 0.037 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=2-propanol O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C.OC(C)C 2012-05-16T19:28:46Z 1063 Ugi product 206B(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C 2-propanol OC(C)C 0.000 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+206B(UC)&solvent=2-propanol O2c1ccccc1Cc3c2cccc3.OC(C)C 2012-05-16T19:28:46Z 1064 xanthene O2c1ccccc1Cc3c2cccc3 2-propanol OC(C)C 0.110 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=2-propanol O=C(O)c1ccccc1OC.OCCOCCC 2012-05-16T19:28:46Z 1065 2-methoxybenzoic acid O=C(O)c1ccccc1OC 2-propoxyethanol OCCOCCC 0.907 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=2-propoxyethanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.OCCOCCC 2012-05-16T19:28:46Z 1066 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 2-propoxyethanol OCCOCCC 0.718 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=2-propoxyethanol O=C(O)c1ccccc1C.OCCOCCC 2012-05-16T19:28:46Z 1067 2-methylbenzoic acid O=C(O)c1ccccc1C 2-propoxyethanol OCCOCCC 1.709 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=2-propoxyethanol O=C(O)c1cc(ccc1)C.OCCOCCC 2012-05-16T19:28:46Z 1068 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 2-propoxyethanol OCCOCCC 1.822 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=2-propoxyethanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.OCCOCCC 2012-05-16T19:28:46Z 1069 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 2-propoxyethanol OCCOCCC 0.912 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=2-propoxyethanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OCCOCCC 2012-05-16T19:28:46Z 1070 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 2-propoxyethanol OCCOCCC 0.588 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=2-propoxyethanol O=C(O)c1ccc(Cl)cc1.OCCOCCC 2012-05-16T19:28:46Z 1071 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 2-propoxyethanol OCCOCCC 0.269 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=2-propoxyethanol COc1ccc(cc1)C(O)=O.OCCOCCC 2012-05-16T19:28:46Z 1072 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 2-propoxyethanol OCCOCCC 0.289 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=2-propoxyethanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OCCOCCC 2012-05-16T19:28:46Z 1073 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 2-propoxyethanol OCCOCCC 0.215 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=2-propoxyethanol CC(=O)Nc1ccc(cc1)O.OCCOCCC 2012-05-16T19:28:46Z 1074 acetaminophen CC(=O)Nc1ccc(cc1)O 2-propoxyethanol OCCOCCC 0.698 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=2-propoxyethanol c1ccc2cc3ccccc3cc2c1.OCCOCCC 2012-05-16T19:28:46Z 1075 anthracene c1ccc2cc3ccccc3cc2c1 2-propoxyethanol OCCOCCC 0.029 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=2-propoxyethanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.OCCOCCC 2012-05-16T19:28:46Z 1076 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 2-propoxyethanol OCCOCCC 0.577 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=2-propoxyethanol c1ccc(cc1)C(C(=O)c2ccccc2)O.OCCOCCC 2012-05-16T19:28:46Z 1077 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 2-propoxyethanol OCCOCCC 0.096 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=2-propoxyethanol c1ccc(cc1)c2ccccc2.OCCOCCC 2012-05-16T19:28:46Z 1078 biphenyl c1ccc(cc1)c2ccccc2 2-propoxyethanol OCCOCCC 1.385 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=2-propoxyethanol O=S(=O)(c1ccccc1)c2ccccc2.OCCOCCC 2012-05-16T19:28:46Z 1079 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 2-propoxyethanol OCCOCCC 0.225 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=2-propoxyethanol c1cc2ccc3cccc4c3c2c(c1)cc4.OCCOCCC 2012-05-16T19:28:46Z 1080 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 2-propoxyethanol OCCOCCC 0.292 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=2-propoxyethanol O=C(c1ccccc1O)N.OCCOCCC 2012-05-16T19:28:46Z 1081 salicylamide O=C(c1ccccc1O)N 2-propoxyethanol OCCOCCC 0.958 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=2-propoxyethanol c1ccc2c(c1)Cc3ccccc3O2.OCCOCCC 2012-05-16T19:28:46Z 1082 xanthene c1ccc2c(c1)Cc3ccccc3O2 2-propoxyethanol OCCOCCC 0.481 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=2-propoxyethanol ClC(Cl)(Cl)C(Cl)(Cl)Cl.CC(C)(C)CC 2012-05-16T19:28:46Z 1083 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl 2,2-dimethylbutane CC(C)(C)CC 0.942 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=2,2-dimethylbutane O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1084 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=2,2,4-trimethylpentane c1ccc2cc(ccc2c1)O.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1085 2-naphthol c1ccc2cc(ccc2c1)O 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=2,2,4-trimethylpentane c1cc(ccc1O)I.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1086 4-iodophenol c1cc(ccc1O)I 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-iodophenol&solvent=2,2,4-trimethylpentane c1cc(ccc1[N+](=O)[O-])O.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1087 4-nitrophenol c1cc(ccc1[N+](=O)[O-])O 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrophenol&solvent=2,2,4-trimethylpentane c1c[n+](ccc1[N+](=O)[O-])[O-].CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1088 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=2,2,4-trimethylpentane c1ccc(cc1)c2ccc(cc2)O.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1089 4-phenylphenol c1ccc(cc1)c2ccc(cc2)O 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-phenylphenol&solvent=2,2,4-trimethylpentane O=C3c1ccccc1c2c3cccc2.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1090 9-fluorenone O=C3c1ccccc1c2c3cccc2 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.070 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=2,2,4-trimethylpentane c1cc2cccc3c2c(c1)CC3.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1091 acenaphthene c1cc2cccc3c2c(c1)CC3 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.283 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=2,2,4-trimethylpentane c1ccc2cc3ccccc3cc2c1.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1092 anthracene c1ccc2cc3ccccc3cc2c1 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=2,2,4-trimethylpentane c1ccc(cc1)C(=O)C(=O)c2ccccc2.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1093 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.035 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=2,2,4-trimethylpentane C1=CC(=O)C=CC1=O.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1094 benzoquinone C1=CC(=O)C=CC1=O 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.041 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoquinone&solvent=2,2,4-trimethylpentane c1ccc(cc1)c2ccccc2.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1095 biphenyl c1ccc(cc1)c2ccccc2 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.683 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=2,2,4-trimethylpentane c1ccc2c(c1)c3ccccc3[nH]2.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1096 carbazole c1ccc2c(c1)c3ccccc3[nH]2 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbazole&solvent=2,2,4-trimethylpentane O=C2c1ccccc1C(=O)c3c2cccc3Cl.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1097 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=2,2,4-trimethylpentane O=S(=O)(c1ccccc1)c2ccccc2.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1098 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=2,2,4-trimethylpentane Clc1ccc(NC(=O)N(C)C)cc1Cl.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1099 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=2,2,4-trimethylpentane c1ccc-2c(c1)-c3cccc4c3c2ccc4.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1100 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.070 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=2,2,4-trimethylpentane c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1101 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=2,2,4-trimethylpentane Clc1ccc(NC(=O)N(C)C)cc1.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1102 monuron Clc1ccc(NC(=O)N(C)C)cc1 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=2,2,4-trimethylpentane c1ccc2ccccc2c1.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1103 naphthalene c1ccc2ccccc2c1 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.692 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=2,2,4-trimethylpentane c1ccc2c(c1)ccc3c2cccc3.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1104 phenanthrene c1ccc2c(c1)ccc3c2cccc3 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.150 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=2,2,4-trimethylpentane c1ccc(cc1)O.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1105 phenol c1ccc(cc1)O 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.300 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenol&solvent=2,2,4-trimethylpentane O=C(O)Cc1ccccc1.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1106 phenylacetic acid O=C(O)Cc1ccccc1 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.077 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=2,2,4-trimethylpentane c1cc2ccc3cccc4c3c2c(c1)cc4.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1107 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.043 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=2,2,4-trimethylpentane S1c3c(Sc2c1cccc2)cccc3.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1108 thianthrene S1c3c(Sc2c1cccc2)cccc3 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=2,2,4-trimethylpentane O=C1c3c(Sc2c1cccc2)cccc3.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1109 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.002 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=2,2,4-trimethylpentane c1ccc(cc1)/C=C/c2ccccc2.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1110 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=2,2,4-trimethylpentane O2c1ccccc1Cc3c2cccc3.CC(C)CC(C)(C)C 2012-05-16T19:28:46Z 1111 xanthene O2c1ccccc1Cc3c2cccc3 2,2,4-trimethylpentane CC(C)CC(C)(C)C 0.150 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=2,2,4-trimethylpentane ClC(Cl)(Cl)C(Cl)(Cl)Cl.CC(C)C(C)C 2012-05-16T19:28:46Z 1112 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl 2,3-dimethylbutane CC(C)C(C)C 1.026 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=2,3-dimethylbutane O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.Cc1ccc(O)c(C)c1 2012-05-16T19:28:46Z 1113 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 2,4-xylenol Cc1ccc(O)c(C)c1 0.367 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=2,4-xylenol ClCc1ccc([N+]([O-])=O)cc1.OCCC(C)C 2012-05-16T19:28:46Z 1114 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 3-me thybutanol OCCC(C)C 0.224 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=3-me+thybutanol O=C(O)c1ccccc1OC.OCCC(OC)C 2012-05-16T19:28:46Z 1115 2-methoxybenzoic acid O=C(O)c1ccccc1OC 3-methoxy-1-butanol OCCC(OC)C 0.938 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=3-methoxy-1-butanol O=C(O)c1cc(ccc1)C.OCCC(OC)C 2012-05-16T19:28:46Z 1116 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 3-methoxy-1-butanol OCCC(OC)C 1.774 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=3-methoxy-1-butanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.OCCC(OC)C 2012-05-16T19:28:46Z 1117 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 3-methoxy-1-butanol OCCC(OC)C 1.277 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=3-methoxy-1-butanol COc1ccc(cc1)C(O)=O.OCCC(OC)C 2012-05-16T19:28:46Z 1118 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 3-methoxy-1-butanol OCCC(OC)C 0.321 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=3-methoxy-1-butanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OCCC(OC)C 2012-05-16T19:28:46Z 1119 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 3-methoxy-1-butanol OCCC(OC)C 0.227 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=3-methoxy-1-butanol CC(=O)Nc1ccc(cc1)O.OCCC(OC)C 2012-05-16T19:28:46Z 1120 acetaminophen CC(=O)Nc1ccc(cc1)O 3-methoxy-1-butanol OCCC(OC)C 0.582 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=3-methoxy-1-butanol c1ccc2cc3ccccc3cc2c1.OCCC(OC)C 2012-05-16T19:28:46Z 1121 anthracene c1ccc2cc3ccccc3cc2c1 3-methoxy-1-butanol OCCC(OC)C 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=3-methoxy-1-butanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.OCCC(OC)C 2012-05-16T19:28:46Z 1122 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 3-methoxy-1-butanol OCCC(OC)C 0.503 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=3-methoxy-1-butanol c1ccc(cc1)C(C(=O)c2ccccc2)O.OCCC(OC)C 2012-05-16T19:28:46Z 1123 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 3-methoxy-1-butanol OCCC(OC)C 0.096 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=3-methoxy-1-butanol c1ccc(cc1)c2ccccc2.OCCC(OC)C 2012-05-16T19:28:46Z 1124 biphenyl c1ccc(cc1)c2ccccc2 3-methoxy-1-butanol OCCC(OC)C 1.210 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=3-methoxy-1-butanol c1cc2ccc3cccc4c3c2c(c1)cc4.OCCC(OC)C 2012-05-16T19:28:46Z 1125 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 3-methoxy-1-butanol OCCC(OC)C 0.218 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=3-methoxy-1-butanol O=C(c1ccccc1O)N.OCCC(OC)C 2012-05-16T19:28:46Z 1126 salicylamide O=C(c1ccccc1O)N 3-methoxy-1-butanol OCCC(OC)C 0.741 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=3-methoxy-1-butanol [O-][N+](=O)c2cccc1ccccc12.OCCC(C)C 2012-05-16T19:28:46Z 1127 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 3-methyl-1-butanol OCCC(C)C 0.292 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=3-methyl-1-butanol Brc1ccc(Br)cc1.OCCC(C)C 2012-05-16T19:28:46Z 1128 1,4-dibromobenzene Brc1ccc(Br)cc1 3-methyl-1-butanol OCCC(C)C 0.426 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=3-methyl-1-butanol O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.OCCC(C)C 2012-05-16T19:28:46Z 1129 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O 3-methyl-1-butanol OCCC(C)C 0.680 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=3-methyl-1-butanol O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.OCCC(C)C 2012-05-16T19:28:46Z 1130 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC 3-methyl-1-butanol OCCC(C)C 0.038 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=3-methyl-1-butanol O=C(O)c1ccccc1OC.OCCC(C)C 2012-05-16T19:28:46Z 1131 2-methoxybenzoic acid O=C(O)c1ccccc1OC 3-methyl-1-butanol OCCC(C)C 0.360 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=3-methyl-1-butanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.OCCC(C)C 2012-05-16T19:28:46Z 1132 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 3-methyl-1-butanol OCCC(C)C 0.110 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=3-methyl-1-butanol O=C(O)c1ccccc1C.OCCC(C)C 2012-05-16T19:28:46Z 1133 2-methylbenzoic acid O=C(O)c1ccccc1C 3-methyl-1-butanol OCCC(C)C 1.340 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=3-methyl-1-butanol O=C(O)c1cc(Cl)ccc1.OCCC(C)C 2012-05-16T19:28:46Z 1134 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 3-methyl-1-butanol OCCC(C)C 0.807 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=3-methyl-1-butanol O=C(O)c1cc(ccc1)C.OCCC(C)C 2012-05-16T19:28:46Z 1135 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 3-methyl-1-butanol OCCC(C)C 1.478 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=3-methyl-1-butanol O=[N+]([O-])c1cc(C(=O)O)ccc1.OCCC(C)C 2012-05-16T19:28:46Z 1136 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 3-methyl-1-butanol OCCC(C)C 1.323 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=3-methyl-1-butanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.OCCC(C)C 2012-05-16T19:28:46Z 1137 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O 3-methyl-1-butanol OCCC(C)C 0.270 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=3-methyl-1-butanol O=C(O)c1ccc(N)cc1.OCCC(C)C 2012-05-16T19:28:46Z 1138 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 3-methyl-1-butanol OCCC(C)C 0.183 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=3-methyl-1-butanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OCCC(C)C 2012-05-16T19:28:46Z 1139 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 3-methyl-1-butanol OCCC(C)C 0.240 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=3-methyl-1-butanol O=C(O)c1ccc(Cl)cc1.OCCC(C)C 2012-05-16T19:28:46Z 1140 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 3-methyl-1-butanol OCCC(C)C 0.121 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=3-methyl-1-butanol COc1ccc(cc1)C(O)=O.OCCC(C)C 2012-05-16T19:28:46Z 1141 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O 3-methyl-1-butanol OCCC(C)C 0.080 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=3-methyl-1-butanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OCCC(C)C 2012-05-16T19:28:46Z 1142 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 3-methyl-1-butanol OCCC(C)C 0.070 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=3-methyl-1-butanol c1c[n+](ccc1[N+](=O)[O-])[O-].OCCC(C)C 2012-05-16T19:28:46Z 1143 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 3-methyl-1-butanol OCCC(C)C 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=3-methyl-1-butanol O=C3c1ccccc1c2c3cccc2.OCCC(C)C 2012-05-16T19:28:46Z 1144 9-fluorenone O=C3c1ccccc1c2c3cccc2 3-methyl-1-butanol OCCC(C)C 0.310 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=3-methyl-1-butanol c1cc2cccc3c2c(c1)CC3.OCCC(C)C 2012-05-16T19:28:46Z 1145 acenaphthene c1cc2cccc3c2c(c1)CC3 3-methyl-1-butanol OCCC(C)C 0.214 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=3-methyl-1-butanol O=C(Oc1ccccc1C(=O)O)C.OCCC(C)C 2012-05-16T19:28:46Z 1146 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 3-methyl-1-butanol OCCC(C)C 0.346 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=3-methyl-1-butanol c1ccc2cc3ccccc3cc2c1.OCCC(C)C 2012-05-16T19:28:46Z 1147 anthracene c1ccc2cc3ccccc3cc2c1 3-methyl-1-butanol OCCC(C)C 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=3-methyl-1-butanol O=C(O)c1ccccc1.OCCC(C)C 2012-05-16T19:28:46Z 1148 benzoic acid O=C(O)c1ccccc1 3-methyl-1-butanol OCCC(C)C 1.440 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=3-methyl-1-butanol c1ccc(cc1)C(C(=O)c2ccccc2)O.OCCC(C)C 2012-05-16T19:28:46Z 1149 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 3-methyl-1-butanol OCCC(C)C 0.019 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=3-methyl-1-butanol c1ccc(cc1)c2ccccc2.OCCC(C)C 2012-05-16T19:28:46Z 1150 biphenyl c1ccc(cc1)c2ccccc2 3-methyl-1-butanol OCCC(C)C 0.508 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=3-methyl-1-butanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.OCCC(C)C 2012-05-16T19:28:46Z 1151 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 3-methyl-1-butanol OCCC(C)C 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=3-methyl-1-butanol O=S(=O)(c1ccccc1)c2ccccc2.OCCC(C)C 2012-05-16T19:28:46Z 1152 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 3-methyl-1-butanol OCCC(C)C 0.041 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=3-methyl-1-butanol Clc1ccc(NC(=O)N(C)C)cc1Cl.OCCC(C)C 2012-05-16T19:28:46Z 1153 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 3-methyl-1-butanol OCCC(C)C 0.098 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=3-methyl-1-butanol c1c(c(cc(c1C)C)C)C.OCCC(C)C 2012-05-16T19:28:46Z 1154 durene c1c(c(cc(c1C)C)C)C 3-methyl-1-butanol OCCC(C)C 0.555 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=3-methyl-1-butanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.OCCC(C)C 2012-05-16T19:28:46Z 1155 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 3-methyl-1-butanol OCCC(C)C 0.079 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=3-methyl-1-butanol c1ccc-2c(c1)Cc3c2cccc3.OCCC(C)C 2012-05-16T19:28:46Z 1156 fluorene c1ccc-2c(c1)Cc3c2cccc3 3-methyl-1-butanol OCCC(C)C 0.133 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=3-methyl-1-butanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.OCCC(C)C 2012-05-16T19:28:46Z 1157 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 3-methyl-1-butanol OCCC(C)C 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=3-methyl-1-butanol O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.OCCC(C)C 2012-05-16T19:28:46Z 1158 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C 3-methyl-1-butanol OCCC(C)C 0.109 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=3-methyl-1-butanol c1ccc2c(c1)ccc3c2cccc3.OCCC(C)C 2012-05-16T19:28:46Z 1159 phenanthrene c1ccc2c(c1)ccc3c2cccc3 3-methyl-1-butanol OCCC(C)C 0.146 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=3-methyl-1-butanol c1ccc2c(c1)Nc3ccccc3S2.OCCC(C)C 2012-05-16T19:28:46Z 1160 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 3-methyl-1-butanol OCCC(C)C 0.082 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=3-methyl-1-butanol c1cc2ccc3cccc4c3c2c(c1)cc4.OCCC(C)C 2012-05-16T19:28:46Z 1161 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 3-methyl-1-butanol OCCC(C)C 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=3-methyl-1-butanol O=C(c1ccccc1O)N.OCCC(C)C 2012-05-16T19:28:46Z 1162 salicylamide O=C(c1ccccc1O)N 3-methyl-1-butanol OCCC(C)C 0.235 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=3-methyl-1-butanol c1ccc(c(c1)C(=O)O)O.OCCC(C)C 2012-05-16T19:28:46Z 1163 salicylic acid c1ccc(c(c1)C(=O)O)O 3-methyl-1-butanol OCCC(C)C 1.324 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=3-methyl-1-butanol S1c3c(Sc2c1cccc2)cccc3.OCCC(C)C 2012-05-16T19:28:46Z 1164 thianthrene S1c3c(Sc2c1cccc2)cccc3 3-methyl-1-butanol OCCC(C)C 0.022 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=3-methyl-1-butanol O=C1c3c(Sc2c1cccc2)cccc3.OCCC(C)C 2012-05-16T19:28:46Z 1165 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 3-methyl-1-butanol OCCC(C)C 0.011 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=3-methyl-1-butanol c1ccc(cc1)/C=C/c2ccccc2.OCCC(C)C 2012-05-16T19:28:46Z 1166 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 3-methyl-1-butanol OCCC(C)C 0.046 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=3-methyl-1-butanol O2c1ccccc1Cc3c2cccc3.OCCC(C)C 2012-05-16T19:28:46Z 1167 xanthene O2c1ccccc1Cc3c2cccc3 3-methyl-1-butanol OCCC(C)C 0.150 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=3-methyl-1-butanol ClC(Cl)(Cl)C(Cl)(Cl)Cl.CC(CC)CC 2012-05-16T19:28:46Z 1168 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl 3-methylpentane CC(CC)CC 1.058 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=3-methylpentane O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.Cc1cccc(c1)O 2012-05-16T19:28:46Z 1169 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 3-methylphenol Cc1cccc(c1)O 0.314 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=3-methylphenol c1cc2cccc3c2c(c1)CC3.OCCC(CCCC(C)C)C 2012-05-16T19:28:46Z 1170 acenaphthene c1cc2cccc3c2c(c1)CC3 3,7-dimethyl-1-octanol OCCC(CCCC(C)C)C 0.286 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=3,7-dimethyl-1-octanol c1ccc2cc3ccccc3cc2c1.OCCC(CCCC(C)C)C 2012-05-16T19:28:46Z 1171 anthracene c1ccc2cc3ccccc3cc2c1 3,7-dimethyl-1-octanol OCCC(CCCC(C)C)C 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=3,7-dimethyl-1-octanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.OCCC(CCCC(C)C)C 2012-05-16T19:28:46Z 1172 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 3,7-dimethyl-1-octanol OCCC(CCCC(C)C)C 0.090 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=3,7-dimethyl-1-octanol c1cc2ccc3cccc4c3c2c(c1)cc4.OCCC(CCCC(C)C)C 2012-05-16T19:28:46Z 1173 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 3,7-dimethyl-1-octanol OCCC(CCCC(C)C)C 0.088 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=3,7-dimethyl-1-octanol O=C(Oc1ccccc1C(=O)O)C.OCCC(CCCC(C)C)C 2012-05-16T19:28:46Z 1174 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 3,7-dimethyl-1-octanol OCCC(CCCC(C)C)C 0.160 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=3,7-dimethyl-1-octanol O=C(O)c1ccccc1OC.OCCCCOCC 2012-05-16T19:28:46Z 1175 2-methoxybenzoic acid O=C(O)c1ccccc1OC 4-butoxyethanol OCCCCOCC 0.993 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=4-butoxyethanol [O-][N+](=O)c2cccc1ccccc12.OC(C)CC(C)C 2012-05-16T19:28:46Z 1176 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 4-methyl-2-pentanol OC(C)CC(C)C 0.247 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=4-methyl-2-pentanol O=C(O)c1ccccc1OC.OC(C)CC(C)C 2012-05-16T19:28:46Z 1177 2-methoxybenzoic acid O=C(O)c1ccccc1OC 4-methyl-2-pentanol OC(C)CC(C)C 0.320 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=4-methyl-2-pentanol O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.OC(C)CC(C)C 2012-05-16T19:28:46Z 1178 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O 4-methyl-2-pentanol OC(C)CC(C)C 0.110 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=4-methyl-2-pentanol O=C(O)c1ccccc1C.OC(C)CC(C)C 2012-05-16T19:28:46Z 1179 2-methylbenzoic acid O=C(O)c1ccccc1C 4-methyl-2-pentanol OC(C)CC(C)C 1.390 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=4-methyl-2-pentanol O=C(O)c1cc(ccc1)C.OC(C)CC(C)C 2012-05-16T19:28:46Z 1180 3-methylbenzoic acid O=C(O)c1cc(ccc1)C 4-methyl-2-pentanol OC(C)CC(C)C 1.717 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=4-methyl-2-pentanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OC(C)CC(C)C 2012-05-16T19:28:46Z 1181 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O 4-methyl-2-pentanol OC(C)CC(C)C 0.230 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=4-methyl-2-pentanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OC(C)CC(C)C 2012-05-16T19:28:46Z 1182 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 4-methyl-2-pentanol OC(C)CC(C)C 0.070 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=4-methyl-2-pentanol c1c[n+](ccc1[N+](=O)[O-])[O-].OC(C)CC(C)C 2012-05-16T19:28:46Z 1183 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] 4-methyl-2-pentanol OC(C)CC(C)C 0.022 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=4-methyl-2-pentanol O=C3c1ccccc1c2c3cccc2.OC(C)CC(C)C 2012-05-16T19:28:46Z 1184 9-fluorenone O=C3c1ccccc1c2c3cccc2 4-methyl-2-pentanol OC(C)CC(C)C 0.290 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=4-methyl-2-pentanol c1cc2cccc3c2c(c1)CC3.OC(C)CC(C)C 2012-05-16T19:28:46Z 1185 acenaphthene c1cc2cccc3c2c(c1)CC3 4-methyl-2-pentanol OC(C)CC(C)C 0.203 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=4-methyl-2-pentanol O=C(Oc1ccccc1C(=O)O)C.OC(C)CC(C)C 2012-05-16T19:28:46Z 1186 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C 4-methyl-2-pentanol OC(C)CC(C)C 0.311 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=4-methyl-2-pentanol c1ccc2cc3ccccc3cc2c1.OC(C)CC(C)C 2012-05-16T19:28:46Z 1187 anthracene c1ccc2cc3ccccc3cc2c1 4-methyl-2-pentanol OC(C)CC(C)C 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=4-methyl-2-pentanol c1ccc(cc1)C(C(=O)c2ccccc2)O.OC(C)CC(C)C 2012-05-16T19:28:46Z 1188 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O 4-methyl-2-pentanol OC(C)CC(C)C 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=4-methyl-2-pentanol c1ccc(cc1)c2ccccc2.OC(C)CC(C)C 2012-05-16T19:28:46Z 1189 biphenyl c1ccc(cc1)c2ccccc2 4-methyl-2-pentanol OC(C)CC(C)C 0.480 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=4-methyl-2-pentanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.OC(C)CC(C)C 2012-05-16T19:28:46Z 1190 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl 4-methyl-2-pentanol OC(C)CC(C)C 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=4-methyl-2-pentanol O=S(=O)(c1ccccc1)c2ccccc2.OC(C)CC(C)C 2012-05-16T19:28:46Z 1191 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 4-methyl-2-pentanol OC(C)CC(C)C 0.036 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=4-methyl-2-pentanol Clc1ccc(NC(=O)N(C)C)cc1Cl.OC(C)CC(C)C 2012-05-16T19:28:46Z 1192 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl 4-methyl-2-pentanol OC(C)CC(C)C 0.060 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=4-methyl-2-pentanol c1c(c(cc(c1C)C)C)C.OC(C)CC(C)C 2012-05-16T19:28:46Z 1193 durene c1c(c(cc(c1C)C)C)C 4-methyl-2-pentanol OC(C)CC(C)C 0.626 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=4-methyl-2-pentanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.OC(C)CC(C)C 2012-05-16T19:28:46Z 1194 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 4-methyl-2-pentanol OC(C)CC(C)C 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=4-methyl-2-pentanol c1ccc-2c(c1)Cc3c2cccc3.OC(C)CC(C)C 2012-05-16T19:28:46Z 1195 fluorene c1ccc-2c(c1)Cc3c2cccc3 4-methyl-2-pentanol OC(C)CC(C)C 0.133 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=4-methyl-2-pentanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.OC(C)CC(C)C 2012-05-16T19:28:46Z 1196 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl 4-methyl-2-pentanol OC(C)CC(C)C 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=4-methyl-2-pentanol c1ccc2c(c1)ccc3c2cccc3.OC(C)CC(C)C 2012-05-16T19:28:46Z 1197 phenanthrene c1ccc2c(c1)ccc3c2cccc3 4-methyl-2-pentanol OC(C)CC(C)C 0.139 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=4-methyl-2-pentanol c1ccc2c(c1)Nc3ccccc3S2.OC(C)CC(C)C 2012-05-16T19:28:46Z 1198 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 4-methyl-2-pentanol OC(C)CC(C)C 0.058 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=4-methyl-2-pentanol S1c3c(Sc2c1cccc2)cccc3.OC(C)CC(C)C 2012-05-16T19:28:46Z 1199 thianthrene S1c3c(Sc2c1cccc2)cccc3 4-methyl-2-pentanol OC(C)CC(C)C 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=4-methyl-2-pentanol O=C1c3c(Sc2c1cccc2)cccc3.OC(C)CC(C)C 2012-05-16T19:28:46Z 1200 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 4-methyl-2-pentanol OC(C)CC(C)C 0.011 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=4-methyl-2-pentanol c1ccc(cc1)/C=C/c2ccccc2.OC(C)CC(C)C 2012-05-16T19:28:46Z 1201 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 4-methyl-2-pentanol OC(C)CC(C)C 0.040 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=4-methyl-2-pentanol O2c1ccccc1Cc3c2cccc3.OC(C)CC(C)C 2012-05-16T19:28:46Z 1202 xanthene O2c1ccccc1Cc3c2cccc3 4-methyl-2-pentanol OC(C)CC(C)C 0.140 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=4-methyl-2-pentanol Clc1c(O)c(cc([N+]([O-])=O)c1O)[N+]([O-])=O.CC(=O)O 2012-05-16T19:28:46Z 1203 2-chloro-4,6-dinitroresorcinol Clc1c(O)c(cc([N+]([O-])=O)c1O)[N+]([O-])=O acetic acid CC(=O)O 0.108 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-4,6-dinitroresorcinol&solvent=acetic+acid O=C(O)c1cc(O)ccc1.CC(=O)O 2012-05-16T19:28:46Z 1204 3-hydroxybenzoic acid O=C(O)c1cc(O)ccc1 acetic acid CC(=O)O 0.527 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-hydroxybenzoic+acid&solvent=acetic+acid O=C(O)c1ccc(N)cc1.O=C(O)C 2012-05-16T19:28:46Z 1205 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 acetic acid O=C(O)C 1.286 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=acetic+acid O=C(O)c1ccc(O)cc1.O=C(O)C 2012-05-16T19:28:46Z 1206 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 acetic acid O=C(O)C 0.766 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=acetic+acid C(CCC(=O)O)CC(=O)O.CC(=O)O 2012-05-16T19:28:46Z 1207 adipic acid C(CCC(=O)O)CC(=O)O acetic acid CC(=O)O 0.364 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adipic+acid&solvent=acetic+acid O=C(O)c1ccccc1.O=C(O)C 2012-05-16T19:28:46Z 1208 benzoic acid O=C(O)c1ccccc1 acetic acid O=C(O)C 2.350 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=acetic+acid O=C(O)C(c1ccc(cc1)CC(C)C)C.O=C(O)C 2012-05-16T19:28:46Z 1209 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C acetic acid O=C(O)C 1.566 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=acetic+acid O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.O=C(O)C 2012-05-16T19:28:46Z 1210 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C acetic acid O=C(O)C 0.262 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=acetic+acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.O=C(O)C 2012-05-16T19:28:46Z 1211 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O acetic acid O=C(O)C 0.138 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=acetic+acid O=C(c1ccccc1O)N.O=C(O)C 2012-05-16T19:28:46Z 1212 salicylamide O=C(c1ccccc1O)N acetic acid O=C(O)C 1.365 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=acetic+acid O=C(O)c1ccccc1O.O=C(O)C 2012-05-16T19:28:46Z 1213 salicylic acid O=C(O)c1ccccc1O acetic acid O=C(O)C 0.969 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=acetic+acid O=C(O)Cn1nnnc1.CC(=O)C 2012-05-16T19:28:46Z 1214 1-H-tetrazole-1-acetic acid O=C(O)Cn1nnnc1 acetone CC(=O)C 1.537 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-H-tetrazole-1-acetic+acid&solvent=acetone O=C(OCC)C1C(=O)CC(C(=O)C1)C(=O)OCC.CC(=O)C 2012-05-16T19:28:46Z 1215 1,4-cyclohexanedione-2,5-dicarboxylate O=C(OCC)C1C(=O)CC(C(=O)C1)C(=O)OCC acetone CC(=O)C 0.060 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-cyclohexanedione-2,5-dicarboxylate&solvent=acetone O=C(/C1=C/C[C@@H]2[C@@]1(CC[C@@H]3[C@@]4(C(=C/C[C@@H]23)\C[C@@H](O)CC4)C)C)C.CC(=O)C 2012-05-16T19:28:46Z 1216 16-dehydropregnenolone O=C(/C1=C/C[C@@H]2[C@@]1(CC[C@@H]3[C@@]4(C(=C/C[C@@H]23)\C[C@@H](O)CC4)C)C)C acetone CC(=O)C 0.112 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=16-dehydropregnenolone&solvent=acetone c1c(cc(c(c1Cl)OCCBr)Cl)Cl.CC(=O)C 2012-05-16T19:28:46Z 1217 2-(2,4,6-trichlorophenoxy)ethyl bromide c1c(cc(c(c1Cl)OCCBr)Cl)Cl acetone CC(=O)C 1.622 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(2,4,6-trichlorophenoxy)ethyl+bromide&solvent=acetone O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC.CC(=O)C 2012-05-16T19:28:46Z 1218 2-(4-ethylbenzoyl)benzoic acid O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC acetone CC(=O)C 0.064 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(4-ethylbenzoyl)benzoic+acid&solvent=acetone c1cc(ncc1CCl)Cl.CC(=O)C 2012-05-16T19:28:46Z 1219 2-chloro-5-chloromethylpyridine c1cc(ncc1CCl)Cl acetone CC(=O)C 0.572 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-chloromethylpyridine&solvent=acetone c1ccc2cc(ccc2c1)O.CC(=O)C 2012-05-16T19:28:46Z 1220 2-naphthol c1ccc2cc(ccc2c1)O acetone CC(=O)C 4.786 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=acetone CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-].CC(=O)C 2012-05-16T19:28:46Z 1221 2,3-dimethyl-2,3-dinitrobutane CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-] acetone CC(=O)C 0.079 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-dimethyl-2,3-dinitrobutane&solvent=acetone O=C(O)c1cc(O)ccc1O.CC(=O)C 2012-05-16T19:28:46Z 1222 2,5-dihydroxybenzoic acid O=C(O)c1cc(O)ccc1O acetone CC(=O)C 2.165 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,5-dihydroxybenzoic+acid&solvent=acetone O=C(O)c1cc(O)ccc1.CC(=O)C 2012-05-16T19:28:46Z 1223 3-hydroxybenzoic acid O=C(O)c1cc(O)ccc1 acetone CC(=O)C 1.503 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-hydroxybenzoic+acid&solvent=acetone O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)O.CC(=O)C 2012-05-16T19:28:46Z 1224 3-nitrophthalic acid O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)O acetone CC(=O)C 0.773 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalic+acid&solvent=acetone Clc1ccc(cc1Cl)C3c2ccccc2C(=O)CC3.CC(=O)C 2012-05-16T19:28:46Z 1225 4-(3,4-dichlorophenyl)-1-tetralone Clc1ccc(cc1Cl)C3c2ccccc2C(=O)CC3 acetone CC(=O)C 0.403 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-(3,4-dichlorophenyl)-1-tetralone&solvent=acetone O=C(O)c1ccc(N)cc1.CC(=O)C 2012-05-16T19:28:46Z 1226 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 acetone CC(=O)C 0.686 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=acetone O=C(O)c1ccc(O)cc1.CC(=O)C 2012-05-16T19:28:46Z 1227 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 acetone CC(=O)C 1.544 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=acetone O=C(O)Cc1ccc(O)cc1.CC(=O)C 2012-05-16T19:28:46Z 1228 4-hydroxyphenylacetic acid O=C(O)Cc1ccc(O)cc1 acetone CC(=O)C 0.910 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxyphenylacetic+acid&solvent=acetone ClCc1ccc([N+]([O-])=O)cc1.CC(=O)C 2012-05-16T19:28:46Z 1229 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 acetone CC(=O)C 3.201 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=acetone Clc1cc2nccc(Cl)c2cc1.CC(=O)C 2012-05-16T19:28:46Z 1230 4,7-dichloroquinoline Clc1cc2nccc(Cl)c2cc1 acetone CC(=O)C 0.746 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4,7-dichloroquinoline&solvent=acetone c1cc2cccc3c2c(c1)CC3.CC(=O)C 2012-05-16T19:28:46Z 1231 acenaphthene c1cc2cccc3c2c(c1)CC3 acetone CC(=O)C 0.858 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=acetone O=C(NP(=O)(OC)SC)C.CC(=O)C 2012-05-16T19:28:46Z 1232 acephate O=C(NP(=O)(OC)SC)C acetone CC(=O)C 0.850 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acephate&solvent=acetone O=C(Nc1ccc(O)cc1)C.CC(=O)C 2012-05-16T19:28:46Z 1233 acetaminophen O=C(Nc1ccc(O)cc1)C acetone CC(=O)C 0.532 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=acetone O=C(Nc1ccccc1)C.O=C(C)C 2012-05-16T19:28:46Z 1234 acetanilide O=C(Nc1ccccc1)C acetone O=C(C)C 1.419 amide n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=acetone O=C(Oc1ccccc1C(=O)O)C.CC(=O)C 2012-05-16T19:28:46Z 1235 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C acetone CC(=O)C 1.028 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=acetone C(CCC(=O)O)CC(=O)O.CC(=O)C 2012-05-16T19:28:46Z 1236 adipic acid C(CCC(=O)O)CC(=O)O acetone CC(=O)C 0.229 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adipic+acid&solvent=acetone c1ccc2cc3ccccc3cc2c1.CC(=O)C 2012-05-16T19:28:46Z 1237 anthracene c1ccc2cc3ccccc3cc2c1 acetone CC(=O)C 0.058 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=acetone O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C.CC(=O)C 2012-05-16T19:28:46Z 1238 artemisinin O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C acetone CC(=O)C 0.112 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=artemisinin&solvent=acetone O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO.CC(=O)C 2012-05-16T19:28:46Z 1239 ascorbic acid O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO acetone CC(=O)C 0.004 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ascorbic+acid&solvent=acetone c1ccc(cc1)C(=O)C(=O)c2ccccc2.CC(=O)C 2012-05-16T19:28:46Z 1240 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 acetone CC(=O)C 1.741 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=acetone O=C(O)c1ccccc1.CC(=O)C 2012-05-16T19:28:46Z 1241 benzoic acid O=C(O)c1ccccc1 acetone CC(=O)C 2.355 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=acetone O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5.CC(=O)C 2012-05-16T19:28:46Z 1242 betulinic acid O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5 acetone CC(=O)C 0.008 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=betulinic+acid&solvent=acetone O=C(OCCCC)c1ccc(O)cc1.CC(=O)C 2012-05-16T19:28:46Z 1243 butylparaben O=C(OCCCC)c1ccc(O)cc1 acetone CC(=O)C 3.517 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butylparaben&solvent=acetone O=C(O)[C@H]1N(C(=O)[C@H](C)CS)CCC1.CC(=O)C 2012-05-16T19:28:46Z 1244 captopril O=C(O)[C@H]1N(C(=O)[C@H](C)CS)CCC1 acetone CC(=O)C 0.752 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=captopril&solvent=acetone O=C2c1ccccc1C(=O)c3c2cccc3Cl.CC(=O)C 2012-05-16T19:28:46Z 1245 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl acetone CC(=O)C 0.071 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=acetone N#CN\C(=N/C)NCCSCc1ncnc1C.CC(=O)C 2012-05-16T19:28:46Z 1246 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C acetone CC(=O)C 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=acetone O=C(O)C=Cc1ccccc1.CC(=O)C 2012-05-16T19:28:46Z 1247 cinnamic acid O=C(O)C=Cc1ccccc1 acetone CC(=O)C 1.394 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=acetone O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.CC(=O)C 2012-05-16T19:28:46Z 1248 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 acetone CC(=O)C 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=acetone Fc1ccc(cc1)N\3c2cc(c(F)cc2C(=O)C(/C(=O)O)=C/3)N4CCN(C)CC4.CC(=O)C 2012-05-16T19:28:46Z 1249 difloxacin Fc1ccc(cc1)N\3c2cc(c(F)cc2C(=O)C(/C(=O)O)=C/3)N4CCN(C)CC4 acetone CC(=O)C 0.088 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=difloxacin&solvent=acetone c1ccc-2c(c1)Cc3c2cccc3.CC(=O)C 2012-05-16T19:28:46Z 1250 fluorene c1ccc-2c(c1)Cc3c2cccc3 acetone CC(=O)C 0.858 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=acetone C(=C/C(=O)O)\C(=O)O.CC(=O)C 2012-05-16T19:28:46Z 1251 fumaric acid C(=C/C(=O)O)\C(=O)O acetone CC(=O)C 0.080 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fumaric+acid&solvent=acetone O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC.CC(=O)C 2012-05-16T19:28:46Z 1252 griseofulvin O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC acetone CC(=O)C 0.116 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=griseofulvin&solvent=acetone c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.CC(=O)C 2012-05-16T19:28:46Z 1253 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F acetone CC(=O)C 0.041 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=acetone O=C2c3c(O[C@H](c1ccc(OC)c(O)c1)C2)cc(O)cc3O.CC(=O)C 2012-05-16T19:28:46Z 1254 hesperetin O=C2c3c(O[C@H](c1ccc(OC)c(O)c1)C2)cc(O)cc3O acetone CC(=O)C 0.340 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hesperetin&solvent=acetone O=C(O)C(c1ccc(cc1)CC(C)C)C.CC(=O)C 2012-05-16T19:28:46Z 1255 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C acetone CC(=O)C 2.944 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=acetone O=C(NN)c1ccncc1.CC(=O)C 2012-05-16T19:28:46Z 1256 isoniazid O=C(NN)c1ccncc1 acetone CC(=O)C 0.109 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isoniazid&solvent=acetone O=C(O)\C(=C)CC(=O)O.CC(=O)C 2012-05-16T19:28:46Z 1257 itaconic acid O=C(O)\C(=C)CC(=O)O acetone CC(=O)C 0.675 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=itaconic+acid&solvent=acetone C(CC(=O)O)[C@@H](C(=O)O)N.CC(=O)C 2012-05-16T19:28:46Z 1258 L-glutamic acid C(CC(=O)O)[C@@H](C(=O)O)N acetone CC(=O)C 0.004 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=L-glutamic+acid&solvent=acetone O=C(O)CCCCCCCCCCC.CC(=O)C 2012-05-16T19:28:46Z 1259 lauric acid O=C(O)CCCCCCCCCCC acetone CC(=O)C 2.079 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lauric+acid&solvent=acetone O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cc(O)cc3O.CC(=O)C 2012-05-16T19:28:46Z 1260 luteolin O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cc(O)cc3O acetone CC(=O)C 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=luteolin&solvent=acetone O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.CC(=O)C 2012-05-16T19:28:46Z 1261 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C acetone CC(=O)C 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=acetone c1ccc2ccccc2c1.CC(=O)C 2012-05-16T19:28:46Z 1262 naphthalene c1ccc2ccccc2c1 acetone CC(=O)C 2.547 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=acetone O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.CC(=O)C 2012-05-16T19:28:46Z 1263 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C acetone CC(=O)C 0.726 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=acetone c1cc(cnc1)C(=O)O.CC(=O)C 2012-05-16T19:28:46Z 1264 nicotinic acid c1cc(cnc1)C(=O)O acetone CC(=O)C 0.018 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nicotinic+acid&solvent=acetone FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.CC(=O)C 2012-05-16T19:28:46Z 1265 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O acetone CC(=O)C 0.013 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=acetone O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC.CC(=O)C 2012-05-16T19:28:46Z 1266 norfloxacin O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC acetone CC(=O)C 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=norfloxacin&solvent=acetone O=S(=O)(c1ccc(N)cc1)N.CC(=O)C 2012-05-16T19:28:46Z 1267 p-aminobenzenesulfonamide O=S(=O)(c1ccc(N)cc1)N acetone CC(=O)C 1.219 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-aminobenzenesulfonamide&solvent=acetone CCCCCCCCCCCCCCCC(=O)O.CC(=O)C 2012-05-16T19:28:46Z 1268 palmitic acid CCCCCCCCCCCCCCCC(=O)O acetone CC(=O)C 0.280 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=palmitic+acid&solvent=acetone O=C(O)Cc1ccccc1.CC(=O)C 2012-05-16T19:28:46Z 1269 phenylacetic acid O=C(O)Cc1ccccc1 acetone CC(=O)C 4.558 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=acetone COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4.CC(=O)C 2012-05-16T19:28:46Z 1270 podophyllotoxin COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4 acetone CC(=O)C 0.126 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=podophyllotoxin&solvent=acetone O=C2c3c(O/C=C2/c1ccc(O)cc1)c(c(O)cc3)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO.CC(=O)C 2012-05-16T19:28:46Z 1271 puerarin O=C2c3c(O/C=C2/c1ccc(O)cc1)c(c(O)cc3)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO acetone CC(=O)C 0.028 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=puerarin&solvent=acetone c1cc2ccc3cccc4c3c2c(c1)cc4.CC(=O)C 2012-05-16T19:28:46Z 1272 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 acetone CC(=O)C 0.467 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=acetone Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H](/C=C/C=C(/C(=O)NC(=C2O)/C(=C\NN5CCN(CC5)C6CCCC6)/C3=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O.CC(=O)C 2012-05-16T19:28:46Z 1273 rifapentine Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H](/C=C/C=C(/C(=O)NC(=C2O)/C(=C\NN5CCN(CC5)C6CCCC6)/C3=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O acetone CC(=O)C 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=rifapentine&solvent=acetone C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O.CC(=O)C 2012-05-16T19:28:46Z 1274 rutin C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O acetone CC(=O)C 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=rutin&solvent=acetone O=C(c1ccccc1O)N.CC(=O)C 2012-05-16T19:28:46Z 1275 salicylamide O=C(c1ccccc1O)N acetone CC(=O)C 1.632 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=acetone O=C(O)c1ccccc1O.CC(=O)C 2012-05-16T19:28:46Z 1276 salicylic acid O=C(O)c1ccccc1O acetone CC(=O)C 2.284 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=acetone O=C(O)CCCCCCCCCCCCCCCCC.O=C(C)C 2012-05-16T19:28:46Z 1277 stearic acid O=C(O)CCCCCCCCCCCCCCCCC acetone O=C(C)C 0.097 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=stearic+acid&solvent=acetone C(CC(=O)O)C(=O)O.CC(=O)C 2012-05-16T19:28:46Z 1278 succinic acid C(CC(=O)O)C(=O)O acetone CC(=O)C 0.239 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=succinic+acid&solvent=acetone O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CC(=O)C 2012-05-16T19:28:46Z 1279 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 acetone CC(=O)C 0.121 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=acetone O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2.CC(=O)C 2012-05-16T19:28:46Z 1280 sulpiride O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2 acetone CC(=O)C 0.028 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulpiride&solvent=acetone C(C(C(=O)O)O)(C(=O)O)O.O=C(C)C 2012-05-16T19:28:46Z 1281 tartaric acid C(C(C(=O)O)O)(C(=O)O)O acetone O=C(C)C 0.790 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tartaric+acid&solvent=acetone O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C.CC(=O)C 2012-05-16T19:28:46Z 1282 tenoxicam O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C acetone CC(=O)C 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tenoxicam&solvent=acetone c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.CC(=O)C 2012-05-16T19:28:46Z 1283 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 acetone CC(=O)C 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=acetone COc1cc(ccc1OC)C=O.O=C(C)C 2012-05-16T19:28:46Z 1284 veratraldehyde COc1cc(ccc1OC)C=O acetone O=C(C)C 3.029 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=veratraldehyde&solvent=acetone [O-][N+](=O)c2cccc1ccccc12.CC#N 2012-05-16T19:28:46Z 1285 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 acetonitrile CC#N 4.031 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=acetonitrile NCCCCCCCCCCCCCCCCCC.N#CC 2012-05-16T19:28:46Z 1286 1-octadecylamine NCCCCCCCCCCCCCCCCCC acetonitrile N#CC 0.080 amine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-octadecylamine&solvent=acetonitrile O=C(OCC)C1C(=O)CC(C(=O)C1)C(=O)OCC.CC#N 2012-05-16T19:28:46Z 1287 1,4-cyclohexanedione-2,5-dicarboxylate O=C(OCC)C1C(=O)CC(C(=O)C1)C(=O)OCC acetonitrile CC#N 0.042 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-cyclohexanedione-2,5-dicarboxylate&solvent=acetonitrile CC(=O)C35O[C@@H]5C[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4[C@H](O)C[C@@]23C.N#CC 2012-05-16T19:28:46Z 1288 11a-hydroxy-16a;17a-epoxyprogesterone CC(=O)C35O[C@@H]5C[C@H]2[C@@H]4CCC1=CC(=O)CC[C@]1(C)[C@H]4[C@H](O)C[C@@]23C acetonitrile N#CC 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=11a-hydroxy-16a;17a-epoxyprogesterone&solvent=acetonitrile O=C(O)Cc1ccc2OCOc2c1.N#CC 2012-05-16T19:28:46Z 1289 2-(1,3-benzodioxol-5-yl)acetic acid O=C(O)Cc1ccc2OCOc2c1 acetonitrile N#CC 0.670 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(1,3-benzodioxol-5-yl)acetic+acid&solvent=acetonitrile c1c(cc(c(c1Cl)OCCBr)Cl)Cl.CC#N 2012-05-16T19:28:46Z 1290 2-(2,4,6-trichlorophenoxy)ethyl bromide c1c(cc(c(c1Cl)OCCBr)Cl)Cl acetonitrile CC#N 0.518 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(2,4,6-trichlorophenoxy)ethyl+bromide&solvent=acetonitrile O=Cc1cc(ccc1Cl)[N+]([O-])=O.N#CC 2012-05-16T19:28:46Z 1291 2-chloro-5-nitrobenzaldehyde O=Cc1cc(ccc1Cl)[N+]([O-])=O acetonitrile N#CC 2.306 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzaldehyde&solvent=acetonitrile Ic1ccccc1O.N#CC 2012-05-16T19:28:46Z 1292 2-iodophenol Ic1ccccc1O acetonitrile N#CC 7.686 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-iodophenol&solvent=acetonitrile O=N(=O)c1ccccc1O.N#CC 2012-05-16T19:28:46Z 1293 2-nitrophenol O=N(=O)c1ccccc1O acetonitrile N#CC 7.286 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-nitrophenol&solvent=acetonitrile O=C(O)C(c1ccccc1)CC.N#CC 2012-05-16T19:28:46Z 1294 2-phenylbutyric acid O=C(O)C(c1ccccc1)CC acetonitrile N#CC 6.180 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-phenylbutyric+acid&solvent=acetonitrile Clc1c(O)cccc1Cl.N#CC 2012-05-16T19:28:46Z 1295 2,3-dichlorophenol Clc1c(O)cccc1Cl acetonitrile N#CC 6.399 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-dichlorophenol&solvent=acetonitrile CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-].CC#N 2012-05-16T19:28:46Z 1296 2,3-dimethyl-2,3-dinitrobutane CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-] acetonitrile CC#N 0.086 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-dimethyl-2,3-dinitrobutane&solvent=acetonitrile Cc1cccc(O)c1C.N#CC 2012-05-16T19:28:46Z 1297 2,3-dimethylphenol Cc1cccc(O)c1C acetonitrile N#CC 4.858 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-dimethylphenol&solvent=acetonitrile Clc1cc(O)c(Cl)cc1Cl.N#CC 2012-05-16T19:28:46Z 1298 2,4,5-trichlorophenol Clc1cc(O)c(Cl)cc1Cl acetonitrile N#CC 5.767 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,4,5-trichlorophenol&solvent=acetonitrile c1c(cc(c(c1Cl)O)Cl)Cl.N#CC 2012-05-16T19:28:46Z 1299 2,4,6-trichlorophenol c1c(cc(c(c1Cl)O)Cl)Cl acetonitrile N#CC 5.471 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,4,6-trichlorophenol&solvent=acetonitrile O=C(O)c1cc(O)ccc1O.CCN 2012-05-16T19:28:46Z 1300 2,5-dihydroxybenzoic acid O=C(O)c1cc(O)ccc1O acetonitrile CCN 0.598 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,5-dihydroxybenzoic+acid&solvent=acetonitrile Cc1cc(O)c(C)cc1.N#CC 2012-05-16T19:28:46Z 1301 2,5-dimethylphenol Cc1cc(O)c(C)cc1 acetonitrile N#CC 4.362 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,5-dimethylphenol&solvent=acetonitrile O=Cc1c(Cl)cccc1Cl.N#CC 2012-05-16T19:28:46Z 1302 2,6-dichlorobenzaldehyde O=Cc1c(Cl)cccc1Cl acetonitrile N#CC 1.350 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,6-dichlorobenzaldehyde&solvent=acetonitrile Clc1cccc(Cl)c1O.N#CC 2012-05-16T19:28:46Z 1303 2,6-dichlorophenol Clc1cccc(Cl)c1O acetonitrile N#CC 6.371 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,6-dichlorophenol&solvent=acetonitrile Oc1cc(Cl)ccc1.N#CC 2012-05-16T19:28:46Z 1304 3-chlorophenol Oc1cc(Cl)ccc1 acetonitrile N#CC 7.517 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorophenol&solvent=acetonitrile N#Cc1cc(O)ccc1.N#CC 2012-05-16T19:28:46Z 1305 3-cyanophenol N#Cc1cc(O)ccc1 acetonitrile N#CC 5.498 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-cyanophenol&solvent=acetonitrile O=C(O)c1cc(O)ccc1.CC#N 2012-05-16T19:28:46Z 1306 3-hydroxybenzoic acid O=C(O)c1cc(O)ccc1 acetonitrile CC#N 0.201 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-hydroxybenzoic+acid&solvent=acetonitrile O=[N+]([O-])c1cccc(N)c1.N#CC 2012-05-16T19:28:46Z 1307 3-nitroaniline O=[N+]([O-])c1cccc(N)c1 acetonitrile N#CC 1.870 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitroaniline&solvent=acetonitrile O=[N+]([O-])c1cccc(O)c1.N#CC 2012-05-16T19:28:46Z 1308 3-nitrophenol O=[N+]([O-])c1cccc(O)c1 acetonitrile N#CC 5.625 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophenol&solvent=acetonitrile [O-][N+](=O)c1cccc2c1C(=O)NC2=O.CC#N 2012-05-16T19:28:46Z 1309 3-nitrophthalimide [O-][N+](=O)c1cccc2c1C(=O)NC2=O acetonitrile CC#N 0.105 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalimide&solvent=acetonitrile O=C(O)Cc1ccc2OCOc2c1.N#CC 2012-05-16T19:28:46Z 1310 3,4-(methylenedioxy)phenylacetic acid O=C(O)Cc1ccc2OCOc2c1 acetonitrile N#CC 0.100 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,4-(methylenedioxy)phenylacetic+acid&solvent=acetonitrile Clc1ccc(O)cc1Cl.N#CC 2012-05-16T19:28:46Z 1311 3,4-dichlorophenol Clc1ccc(O)cc1Cl acetonitrile N#CC 7.059 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,4-dichlorophenol&solvent=acetonitrile Cc1cc(O)cc(C)c1.N#CC 2012-05-16T19:28:46Z 1312 3,5-dimethylphenol Cc1cc(O)cc(C)c1 acetonitrile N#CC 5.808 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dimethylphenol&solvent=acetonitrile O=C(Nc1ccc(cc1)C(=O)O)C.N#CC 2012-05-16T19:28:46Z 1313 4-acetamidobenzoic acid O=C(Nc1ccc(cc1)C(=O)O)C acetonitrile N#CC 0.010 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-acetamidobenzoic+acid&solvent=acetonitrile O=C(C)c1ccc(N)cc1.N#CC 2012-05-16T19:28:46Z 1314 4-aminoacetophenone O=C(C)c1ccc(N)cc1 acetonitrile N#CC 0.399 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminoacetophenone&solvent=acetonitrile Oc1ccc(Br)cc1.N#CC 2012-05-16T19:28:46Z 1315 4-bromophenol Oc1ccc(Br)cc1 acetonitrile N#CC 6.643 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-bromophenol&solvent=acetonitrile O=Cc1ccc(Cl)cc1.N#CC 2012-05-16T19:28:46Z 1316 4-chlorobenzaldehyde O=Cc1ccc(Cl)cc1 acetonitrile N#CC 5.585 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzaldehyde&solvent=acetonitrile Clc1ccc(cc1)CC(=O)O.N#CC 2012-05-16T19:28:46Z 1317 4-chlorophenylacetic acid Clc1ccc(cc1)CC(=O)O acetonitrile N#CC 1.673 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorophenylacetic+acid&solvent=acetonitrile O=Cc1ccc(N(C)C)cc1.N#CC 2012-05-16T19:28:46Z 1318 4-dimethylaminobenzaldehyde O=Cc1ccc(N(C)C)cc1 acetonitrile N#CC 2.600 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-dimethylaminobenzaldehyde&solvent=acetonitrile O=C(O)c1ccc(F)cc1.N#CC 2012-05-16T19:28:46Z 1319 4-fluorobenzoic acid O=C(O)c1ccc(F)cc1 acetonitrile N#CC 0.390 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-fluorobenzoic+acid&solvent=acetonitrile Fc1ccc(O)cc1.N#CC 2012-05-16T19:28:46Z 1320 4-fluorophenol Fc1ccc(O)cc1 acetonitrile N#CC 7.973 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-fluorophenol&solvent=acetonitrile O=Cc1ccc(O)cc1.N#CC 2012-05-16T19:28:46Z 1321 4-hydroxybenzaldehyde O=Cc1ccc(O)cc1 acetonitrile N#CC 1.460 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzaldehyde&solvent=acetonitrile O=C(O)c1ccc(I)cc1.CCN 2012-05-16T19:28:46Z 1322 4-iodobenzoic acid O=C(O)c1ccc(I)cc1 acetonitrile CCN 0.018 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-iodobenzoic+acid&solvent=acetonitrile Oc1ccc(cc1)C(C)C.N#CC 2012-05-16T19:28:46Z 1323 4-isopropylphenol Oc1ccc(cc1)C(C)C acetonitrile N#CC 4.511 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-isopropylphenol&solvent=acetonitrile COc1ccc(cc1)O.N#CC 2012-05-16T19:28:46Z 1324 4-methoxyphenol COc1ccc(cc1)O acetonitrile N#CC 6.593 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxyphenol&solvent=acetonitrile O=C(O)Cc1ccc(OC)cc1.N#CC 2012-05-16T19:28:46Z 1325 4-methoxyphenylacetic acid O=C(O)Cc1ccc(OC)cc1 acetonitrile N#CC 2.225 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxyphenylacetic+acid&solvent=acetonitrile c1cc(ccc1N)N(=O)=O.N#CC 2012-05-16T19:28:46Z 1326 4-nitroaniline c1cc(ccc1N)N(=O)=O acetonitrile N#CC 1.210 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitroaniline&solvent=acetonitrile c1cc(C=O)ccc1[N+](=O)[O-].N#CC 2012-05-16T19:28:46Z 1327 4-nitrobenzaldehyde c1cc(C=O)ccc1[N+](=O)[O-] acetonitrile N#CC 1.129 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzaldehyde&solvent=acetonitrile ClCc1ccc([N+]([O-])=O)cc1.CC#N 2012-05-16T19:28:46Z 1328 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 acetonitrile CC#N 2.837 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=acetonitrile c1cc(ccc1[N+](=O)[O-])O.N#CC 2012-05-16T19:28:46Z 1329 4-nitrophenol c1cc(ccc1[N+](=O)[O-])O acetonitrile N#CC 5.402 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrophenol&solvent=acetonitrile O=[N+]([O-])c1ccc(C)cc1.N#CC 2012-05-16T19:28:46Z 1330 4-nitrotoluene O=[N+]([O-])c1ccc(C)cc1 acetonitrile N#CC 6.330 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrotoluene&solvent=acetonitrile c1ccc(cc1)c2ccc(cc2)O.N#CC 2012-05-16T19:28:46Z 1331 4-phenylphenol c1ccc(cc1)c2ccc(cc2)O acetonitrile N#CC 0.884 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-phenylphenol&solvent=acetonitrile O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3.N#CC 2012-05-16T19:28:46Z 1332 4-pyrenebutanoic acid O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3 acetonitrile N#CC 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-pyrenebutanoic+acid&solvent=acetonitrile CC(C)(C)c1ccc(cc1)O.N#CC 2012-05-16T19:28:46Z 1333 4-tert-butylphenol CC(C)(C)c1ccc(cc1)O acetonitrile N#CC 3.432 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-tert-butylphenol&solvent=acetonitrile Clc1cc2nccc(Cl)c2cc1.CC#N 2012-05-16T19:28:46Z 1334 4,7-dichloroquinoline Clc1cc2nccc(Cl)c2cc1 acetonitrile CC#N 0.095 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4,7-dichloroquinoline&solvent=acetonitrile Fc1cc2c(cc1)NC(=O)C2=O.CC#N 2012-05-16T19:28:46Z 1335 5-fluoroisatin Fc1cc2c(cc1)NC(=O)C2=O acetonitrile CC#N 0.109 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluoroisatin&solvent=acetonitrile O=C3c1ccccc1c2c3cccc2.N#CC 2012-05-16T19:28:46Z 1336 9-fluorenone O=C3c1ccccc1c2c3cccc2 acetonitrile N#CC 1.570 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=acetonitrile O=C(Nc1ccc(O)cc1)C.CCN 2012-05-16T19:28:46Z 1337 acetaminophen O=C(Nc1ccc(O)cc1)C acetonitrile CCN 0.144 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=acetonitrile O=C(Oc1ccccc1C(=O)O)C.CCN 2012-05-16T19:28:46Z 1338 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C acetonitrile CCN 0.336 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=acetonitrile c1ccc2cc3ccccc3cc2c1.CCN 2012-05-16T19:28:46Z 1339 anthracene c1ccc2cc3ccccc3cc2c1 acetonitrile CCN 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=acetonitrile c1ccc2c(c1)C(=O)c3ccccc3C2=O.CC#N 2012-05-16T19:28:46Z 1340 anthraquinone c1ccc2c(c1)C(=O)c3ccccc3C2=O acetonitrile CC#N 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthraquinone&solvent=acetonitrile O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C.CC#N 2012-05-16T19:28:46Z 1341 artemisinin O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C acetonitrile CC#N 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=artemisinin&solvent=acetonitrile O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO.CCN 2012-05-16T19:28:46Z 1342 ascorbic acid O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO acetonitrile CCN 0.005 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ascorbic+acid&solvent=acetonitrile CC2(C)CCCC(\C)=C2\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(/C)CCCC1(C)C.N#CC 2012-05-16T19:28:46Z 1343 B-carotene CC2(C)CCCC(\C)=C2\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(/C)CCCC1(C)C acetonitrile N#CC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=B-carotene&solvent=acetonitrile c1ccc(cc1)/C=N/c2ccccc2.N#CC 2012-05-16T19:28:46Z 1344 benzalaniline c1ccc(cc1)/C=N/c2ccccc2 acetonitrile N#CC 3.696 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzalaniline&solvent=acetonitrile c1ccc(cc1)C(=O)N.N#CC 2012-05-16T19:28:46Z 1345 benzamide c1ccc(cc1)C(=O)N acetonitrile N#CC 0.495 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzamide&solvent=acetonitrile c1ccc(cc1)C(=O)C(=O)c2ccccc2.CCN 2012-05-16T19:28:46Z 1346 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 acetonitrile CCN 1.047 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=acetonitrile O=C(O)c1ccccc1.N#CC 2012-05-16T19:28:46Z 1347 benzoic acid O=C(O)c1ccccc1 acetonitrile N#CC 0.859 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=acetonitrile O=C(OC(C)(C)C)NCC(=O)O.N#CC 2012-05-16T19:28:46Z 1348 boc-glycine O=C(OC(C)(C)C)NCC(=O)O acetonitrile N#CC 2.460 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-glycine&solvent=acetonitrile O=C(OCCCC)c1ccc(N)cc1.N#CC 2012-05-16T19:28:46Z 1349 butyl p-aminobenzoate O=C(OCCCC)c1ccc(N)cc1 acetonitrile N#CC 3.063 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butyl+p-aminobenzoate&solvent=acetonitrile O=C(OCCCC)c1ccc(O)cc1.N#CC 2012-05-16T19:28:46Z 1350 butylparaben O=C(OCCCC)c1ccc(O)cc1 acetonitrile N#CC 2.512 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butylparaben&solvent=acetonitrile O=C(O)[C@H]1N(C(=O)[C@H](C)CS)CCC1.CC#N 2012-05-16T19:28:46Z 1351 captopril O=C(O)[C@H]1N(C(=O)[C@H](C)CS)CCC1 acetonitrile CC#N 0.550 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=captopril&solvent=acetonitrile c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N.N#CC 2012-05-16T19:28:46Z 1352 carbamazepine c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N acetonitrile N#CC 0.171 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbamazepine&solvent=acetonitrile ClCC(O)=O.N#CC 2012-05-16T19:28:46Z 1353 chloroacetic acid ClCC(O)=O acetonitrile N#CC 12.450 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroacetic+acid&solvent=acetonitrile O=C2c1ccccc1C(=O)c3c2cccc3Cl.CCN 2012-05-16T19:28:46Z 1354 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl acetonitrile CCN 0.032 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=acetonitrile C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C.N#CC 2012-05-16T19:28:46Z 1355 cholesterol C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C acetonitrile N#CC 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cholesterol&solvent=acetonitrile N#CN\C(=N/C)NCCSCc1ncnc1C.CCN 2012-05-16T19:28:46Z 1356 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C acetonitrile CCN 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=acetonitrile O=C(O)C=Cc1ccccc1.C(C)#N 2012-05-16T19:28:46Z 1357 cinnamic acid O=C(O)C=Cc1ccccc1 acetonitrile C(C)#N 0.267 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=acetonitrile O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.N#CC 2012-05-16T19:28:46Z 1358 cortexolone O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 acetonitrile N#CC 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cortexolone&solvent=acetonitrile O=C(CO)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C.N#CC 2012-05-16T19:28:46Z 1359 cortisone O=C(CO)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C acetonitrile N#CC 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cortisone&solvent=acetonitrile O=C(O)/C=C/C.N#CC 2012-05-16T19:28:46Z 1360 crotonic acid O=C(O)/C=C/C acetonitrile N#CC 3.590 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=crotonic+acid&solvent=acetonitrile O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.CC#N 2012-05-16T19:28:46Z 1361 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 acetonitrile CC#N 0.079 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=acetonitrile O=C(O)c1cc(ccc1O)c2ccc(F)cc2F.N#CC 2012-05-16T19:28:46Z 1362 diflunisal O=C(O)c1cc(ccc1O)c2ccc(F)cc2F acetonitrile N#CC 0.067 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diflunisal&solvent=acetonitrile O=C(O)C(c1ccccc1)c2ccccc2.N#CC 2012-05-16T19:28:46Z 1363 diphenylacetic acid O=C(O)C(c1ccccc1)c2ccccc2 acetonitrile N#CC 0.460 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenylacetic+acid&solvent=acetonitrile Clc1ccc(NC(=O)N(C)C)cc1Cl.CCN 2012-05-16T19:28:46Z 1364 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl acetonitrile CCN 0.081 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=acetonitrile c1c(c(cc(c1C)C)C)C.CC#N 2012-05-16T19:28:46Z 1365 durene c1c(c(cc(c1C)C)C)C acetonitrile CC#N 0.466 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=acetonitrile O=C(Nc1c(c(c(O)c(c1)C)C)C)[C@@H](SCCCCCCCCCCCC)c2ccccc2.N#CC 2012-05-16T19:28:46Z 1366 eflucimibe O=C(Nc1c(c(c(O)c(c1)C)C)C)[C@@H](SCCCCCCCCCCCC)c2ccccc2 acetonitrile N#CC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=eflucimibe&solvent=acetonitrile C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O.N#CC 2012-05-16T19:28:46Z 1367 estradiol C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O acetonitrile N#CC 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estradiol&solvent=acetonitrile Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](O)[C@H](O)C[C@H]4[C@@H]2CC3)C.N#CC 2012-05-16T19:28:46Z 1368 estriol Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](O)[C@H](O)C[C@H]4[C@@H]2CC3)C acetonitrile N#CC 4.154 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estriol&solvent=acetonitrile O=C4[C@]3(CC[C@@H]2c1ccc(O)cc1CC[C@H]2[C@@H]3CC4)C.N#CC 2012-05-16T19:28:46Z 1369 estrone O=C4[C@]3(CC[C@@H]2c1ccc(O)cc1CC[C@H]2[C@@H]3CC4)C acetonitrile N#CC 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estrone&solvent=acetonitrile O=C(OCC)c1ccc(O)cc1.N#CC 2012-05-16T19:28:46Z 1370 ethylparaben O=C(OCC)c1ccc(O)cc1 acetonitrile N#CC 1.095 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethylparaben&solvent=acetonitrile c1ccc-2c(c1)-c3cccc4c3c2ccc4.CCN 2012-05-16T19:28:46Z 1371 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 acetonitrile CCN 0.242 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=acetonitrile Fc2cc(ccc2c1ccccc1)C(C(=O)O)C.N#CC 2012-05-16T19:28:46Z 1372 flurbiprofen Fc2cc(ccc2c1ccccc1)C(C(=O)O)C acetonitrile N#CC 0.541 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=flurbiprofen&solvent=acetonitrile OC(=O)c1ccco1.N#CC 2012-05-16T19:28:46Z 1373 furoic acid OC(=O)c1ccco1 acetonitrile N#CC 1.097 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furoic+acid&solvent=acetonitrile O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.N#CC 2012-05-16T19:28:46Z 1374 hydrocortisone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 acetonitrile N#CC 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrocortisone&solvent=acetonitrile O=C(O)\C(=C)CC(=O)O.CCN 2012-05-16T19:28:46Z 1375 itaconic acid O=C(O)\C(=C)CC(=O)O acetonitrile CCN 0.100 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=itaconic+acid&solvent=acetonitrile O=C1/N=C(/N)\C=C/N1[C@H]2O[C@H](SC2)CO.N#CC 2012-05-16T19:28:46Z 1376 lamivudine O=C1/N=C(/N)\C=C/N1[C@H]2O[C@H](SC2)CO acetonitrile N#CC 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lamivudine&solvent=acetonitrile O=C(Nc1c(cccc1C)C)CN(CC)CC.N#CC 2012-05-16T19:28:46Z 1377 lidocaine O=C(Nc1c(cccc1C)C)CN(CC)CC acetonitrile N#CC 4.176 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lidocaine&solvent=acetonitrile CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C.N#CC 2012-05-16T19:28:46Z 1378 lutein CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@H]2C(=C[C@@H](CC2(C)C)O)C)/C)/C acetonitrile N#CC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lutein&solvent=acetonitrile O=C(OC)c1ccc(N)cc1.N#CC 2012-05-16T19:28:46Z 1379 methyl 4-aminobenzoate O=C(OC)c1ccc(N)cc1 acetonitrile N#CC 1.635 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-aminobenzoate&solvent=acetonitrile CN(C)c1ccc(cc1)C=Nc2ccccc2.C(C)#N 2012-05-16T19:28:46Z 1380 N-(4-Dimethylaminobenzylidene)aniline CN(C)c1ccc(cc1)C=Nc2ccccc2 acetonitrile C(C)#N 0.235 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-(4-Dimethylaminobenzylidene)aniline&solvent=acetonitrile COc1ccc(cc1)C=Nc2ccccc2.C(C)#N 2012-05-16T19:28:46Z 1381 N-(4-methoxybenzylidene)aniline COc1ccc(cc1)C=Nc2ccccc2 acetonitrile C(C)#N 2.674 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-(4-methoxybenzylidene)aniline&solvent=acetonitrile Oc1ccc(cc1OC)C=Nc2ccccc2.C(C)#N 2012-05-16T19:28:46Z 1382 N-vanillylideneaniline Oc1ccc(cc1OC)C=Nc2ccccc2 acetonitrile C(C)#N 0.072 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-vanillylideneaniline&solvent=acetonitrile O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C.CC#N 2012-05-16T19:28:46Z 1383 naproxen O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C acetonitrile CC#N 0.115 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=acetonitrile O=C(O)c1cccnc1.N#CC 2012-05-16T19:28:46Z 1384 nicotinic acid O=C(O)c1cccnc1 acetonitrile N#CC 0.001 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nicotinic+acid&solvent=acetonitrile Oc1c(cccc1OC)C=O.N#CC 2012-05-16T19:28:46Z 1385 o-vanillin Oc1c(cccc1OC)C=O acetonitrile N#CC 2.560 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=o-vanillin&solvent=acetonitrile O=S(=O)(O)c1ccc(cc1)C.N#CC 2012-05-16T19:28:46Z 1386 p-toluenesulfonic acid O=S(=O)(O)c1ccc(cc1)C acetonitrile N#CC 0.115 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-toluenesulfonic+acid&solvent=acetonitrile O=S(=O)(c1ccc(cc1)C)C[N+]#[C-].N#CC 2012-05-16T19:28:46Z 1387 p-toluenesulfonylmethyl isocyanide O=S(=O)(c1ccc(cc1)C)C[N+]#[C-] acetonitrile N#CC 1.880 isonitrile n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-toluenesulfonylmethyl+isocyanide&solvent=acetonitrile CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)O)(C)C.N#CC 2012-05-16T19:28:46Z 1388 paclitaxel CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)O)(C)C acetonitrile N#CC 0.020 multiple n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=paclitaxel&solvent=acetonitrile Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl.N#CC 2012-05-16T19:28:46Z 1389 pentachlorophenol Clc1c(O)c(Cl)c(Cl)c(Cl)c1Cl acetonitrile N#CC 0.437 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pentachlorophenol&solvent=acetonitrile c1ccc2c(c1)ccc3c2cccc3.CCN 2012-05-16T19:28:46Z 1390 phenanthrene c1ccc2c(c1)ccc3c2cccc3 acetonitrile CCN 0.581 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=acetonitrile O=Cc2cc3c(c1c2cccc1)cccc3.N#CC 2012-05-16T19:28:46Z 1391 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 acetonitrile N#CC 0.153 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=acetonitrile c1ccc(cc1)O.N#CC 2012-05-16T19:28:46Z 1392 phenol c1ccc(cc1)O acetonitrile N#CC 9.727 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenol&solvent=acetonitrile c1ccc2c(c1)Nc3ccccc3S2.N#CC 2012-05-16T19:28:46Z 1393 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 acetonitrile N#CC 0.218 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=acetonitrile O=C(Oc1ccccc1)c2ccccc2.N#CC 2012-05-16T19:28:46Z 1394 phenyl benzoate O=C(Oc1ccccc1)c2ccccc2 acetonitrile N#CC 2.274 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenyl+benzoate&solvent=acetonitrile O=C(O)Cc1ccccc1.N#CC 2012-05-16T19:28:46Z 1395 phenylacetic acid O=C(O)Cc1ccccc1 acetonitrile N#CC 3.870 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=acetonitrile O=C(C#Cc1ccccc1)O.N#CC 2012-05-16T19:28:46Z 1396 phenylpropynoic acid O=C(C#Cc1ccccc1)O acetonitrile N#CC 1.380 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylpropynoic+acid&solvent=acetonitrile O=Cc1ccc2OCOc2c1.N#CC 2012-05-16T19:28:46Z 1397 piperonal O=Cc1ccc2OCOc2c1 acetonitrile N#CC 7.110 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=piperonal&solvent=acetonitrile O=C(CO)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)\C=C/[C@]1(C)[C@H]4C(=O)C[C@@]23C.N#CC 2012-05-16T19:28:46Z 1398 prednisone O=C(CO)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)\C=C/[C@]1(C)[C@H]4C(=O)C[C@@]23C acetonitrile N#CC 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisone&solvent=acetonitrile O=C(OCCC)c1ccc(O)cc1.N#CC 2012-05-16T19:28:46Z 1399 propylparaben O=C(OCCC)c1ccc(O)cc1 acetonitrile N#CC 1.134 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=propylparaben&solvent=acetonitrile c3ccc2ccc1cccc4c1c2c3cc4.N#CC 2012-05-16T19:28:46Z 1400 pyrene c3ccc2ccc1cccc4c1c2c3cc4 acetonitrile N#CC 0.104 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=acetonitrile O=C(c1ccccc1O)N.CCN 2012-05-16T19:28:46Z 1401 salicylamide O=C(c1ccccc1O)N acetonitrile CCN 0.588 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=acetonitrile O=C(O)c1ccccc1O.N#CC 2012-05-16T19:28:46Z 1402 salicylic acid O=C(O)c1ccccc1O acetonitrile N#CC 0.549 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=acetonitrile O=S(=O)(Nc1nc(ccn1)C)c2ccc(N)cc2.N#CC 2012-05-16T19:28:46Z 1403 sulfamerazine (polymorph 1) O=S(=O)(Nc1nc(ccn1)C)c2ccc(N)cc2 acetonitrile N#CC 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamerazine+(polymorph+1)&solvent=acetonitrile O=S(=O)(Nc1nc(ccn1)C)c2ccc(N)cc2.N#CC 2012-05-16T19:28:46Z 1404 sulfamerazine (polymorph 2) O=S(=O)(Nc1nc(ccn1)C)c2ccc(N)cc2 acetonitrile N#CC 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamerazine+(polymorph+2)&solvent=acetonitrile CN1c2ccc(cc2C(=NC(C1=O)O)c3ccccc3)Cl.N#CC 2012-05-16T19:28:46Z 1405 temazepam CN1c2ccc(cc2C(=NC(C1=O)O)c3ccccc3)Cl acetonitrile N#CC 0.203 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=temazepam&solvent=acetonitrile c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.CCN 2012-05-16T19:28:46Z 1406 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 acetonitrile CCN 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=acetonitrile S1c3c(Sc2c1cccc2)cccc3.N#CC 2012-05-16T19:28:46Z 1407 thianthrene S1c3c(Sc2c1cccc2)cccc3 acetonitrile N#CC 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=acetonitrile O=C1c3c(Sc2c1cccc2)cccc3.CC#N 2012-05-16T19:28:46Z 1408 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 acetonitrile CC#N 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=acetonitrile c1ccc(cc1)/C=C/c2ccccc2.CCN 2012-05-16T19:28:46Z 1409 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 acetonitrile CCN 0.177 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=acetonitrile Clc2ccc(OC(C(=O)C(C)(C)C)n1ncnc1)cc2.CC#N 2012-05-16T19:28:46Z 1410 triadimefon Clc2ccc(OC(C(=O)C(C)(C)C)n1ncnc1)cc2 acetonitrile CC#N 0.280 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triadimefon&solvent=acetonitrile CC(C)(C)NC(=O)C(c1ccc2OCOc2c1)N(Cc3ccc(C)o3)C(=O)CNC(=O)OC(C)(C)C.N#CC 2012-05-16T19:28:46Z 1411 UCExp216-3A CC(C)(C)NC(=O)C(c1ccc2OCOc2c1)N(Cc3ccc(C)o3)C(=O)CNC(=O)OC(C)(C)C acetonitrile N#CC 0.040 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=UCExp216-3A&solvent=acetonitrile CC(C)(C)NC(=O)C(N(CCCCCCC)C(=O)\C=C\C)c2cc3ccccc3c1ccccc12.N#CC 2012-05-16T19:28:46Z 1412 Ugi product 148B CC(C)(C)NC(=O)C(N(CCCCCCC)C(=O)\C=C\C)c2cc3ccccc3c1ccccc12 acetonitrile N#CC 0.020 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+148B&solvent=acetonitrile CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23.N#CC 2012-05-16T19:28:46Z 1413 Ugi product 150D(UC) CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23 acetonitrile N#CC 0.040 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+150D(UC)&solvent=acetonitrile O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC.N#CC 2012-05-16T19:28:46Z 1414 Ugi product 176C (UC) O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC acetonitrile N#CC 0.020 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+176C+(UC)&solvent=acetonitrile O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C.N#CC 2012-05-16T19:28:46Z 1415 Ugi product 206B(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C acetonitrile N#CC 0.022 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+206B(UC)&solvent=acetonitrile Clc5ccc(CC(=O)N(Cc1ccccc1)C(c3cc4ccccc4c2ccccc23)C(=O)NCCCC)cc5.N#CC 2012-05-16T19:28:46Z 1416 Ugi product 215F(UC) Clc5ccc(CC(=O)N(Cc1ccccc1)C(c3cc4ccccc4c2ccccc23)C(=O)NCCCC)cc5 acetonitrile N#CC 0.040 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+215F(UC)&solvent=acetonitrile Cc1ccc(o1)CC(C(c2ccc(c(c2)OC)OC)C(=O)NC(C)(C)C)C(=O)CNC(=O)OC(C)(C)C.N#CC 2012-05-16T19:28:46Z 1417 Ugi Product 216-4A Cc1ccc(o1)CC(C(c2ccc(c(c2)OC)OC)C(=O)NC(C)(C)C)C(=O)CNC(=O)OC(C)(C)C acetonitrile N#CC 0.125 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+Product+216-4A&solvent=acetonitrile C(=O)(N)N.CC#N 2012-05-16T19:28:46Z 1418 urea C(=O)(N)N acetonitrile CC#N 0.067 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=urea&solvent=acetonitrile O=C(O)[C@@H](N(C(=O)CCCC)Cc3ccc(c1ccccc1c2nnnn2)cc3)C(C)C.CC#N 2012-05-16T19:28:46Z 1419 valsartan O=C(O)[C@@H](N(C(=O)CCCC)Cc3ccc(c1ccccc1c2nnnn2)cc3)C(C)C acetonitrile CC#N 0.245 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=valsartan&solvent=acetonitrile Oc1ccc(cc1OC)C=O.N#CC 2012-05-16T19:28:46Z 1420 vanillin Oc1ccc(cc1OC)C=O acetonitrile N#CC 2.360 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=vanillin&solvent=acetonitrile COc1cc(ccc1OC)C=O.N#CC 2012-05-16T19:28:46Z 1421 veratraldehyde COc1cc(ccc1OC)C=O acetonitrile N#CC 5.755 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=veratraldehyde&solvent=acetonitrile O2c1ccccc1Cc3c2cccc3.N#CC 2012-05-16T19:28:46Z 1422 xanthene O2c1ccccc1Cc3c2cccc3 acetonitrile N#CC 0.356 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=acetonitrile ClCc1ccc([N+]([O-])=O)cc1.CC(=O)c1ccccc1 2012-05-16T19:28:46Z 1423 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 acetophenone CC(=O)c1ccccc1 2.379 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=acetophenone C(CCC(=O)O)CC(=O)O.CC(=O)c1ccccc1 2012-05-16T19:28:46Z 1424 adipic acid C(CCC(=O)O)CC(=O)O acetophenone CC(=O)c1ccccc1 0.038 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adipic+acid&solvent=acetophenone O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.CC(=O)c1ccccc1 2012-05-16T19:28:46Z 1425 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 acetophenone CC(=O)c1ccccc1 0.072 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=acetophenone C(=C/C(=O)O)\C(=O)O.CC(=O)c1ccccc1 2012-05-16T19:28:46Z 1426 fumaric acid C(=C/C(=O)O)\C(=O)O acetophenone CC(=O)c1ccccc1 0.114 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fumaric+acid&solvent=acetophenone O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.CC(=O)c1ccccc1 2012-05-16T19:28:46Z 1427 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C acetophenone CC(=O)c1ccccc1 0.019 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=acetophenone c1ccc(c(c1)C(=O)O)C(=O)O.CC(=O)c1ccccc1 2012-05-16T19:28:46Z 1428 phthalic acid c1ccc(c(c1)C(=O)O)C(=O)O acetophenone CC(=O)c1ccccc1 0.041 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phthalic+acid&solvent=acetophenone c1cc2ccc3cccc4c3c2c(c1)cc4.CC(=O)c1ccccc1 2012-05-16T19:28:46Z 1429 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 acetophenone CC(=O)c1ccccc1 0.917 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=acetophenone C(CC(=O)O)C(=O)O.CC(=O)c1ccccc1 2012-05-16T19:28:46Z 1430 succinic acid C(CC(=O)O)C(=O)O acetophenone CC(=O)c1ccccc1 0.030 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=succinic+acid&solvent=acetophenone c1ccc2cc3ccccc3cc2c1.N#CCCCCC#N 2012-05-16T19:28:46Z 1431 anthracene c1ccc2cc3ccccc3cc2c1 adiponitrile N#CCCCCC#N 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=adiponitrile c1ccc-2c(c1)Cc3c2cccc3.N#CCCCCC#N 2012-05-16T19:28:46Z 1432 fluorene c1ccc-2c(c1)Cc3c2cccc3 adiponitrile N#CCCCCC#N 0.396 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=adiponitrile c1cc2ccc3cccc4c3c2c(c1)cc4.C1CCC(C(C1)N)N 2012-05-16T19:28:46Z 1433 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 adiponitrile C1CCC(C(C1)N)N 0.206 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=adiponitrile O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.c1ccc(cc1)N 2012-05-16T19:28:46Z 1434 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 aniline c1ccc(cc1)N 0.222 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=aniline c1ccc-2c(c1)Cc3c2cccc3.c1ccc(cc1)N 2012-05-16T19:28:46Z 1435 fluorene c1ccc-2c(c1)Cc3c2cccc3 aniline c1ccc(cc1)N 0.712 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=aniline c1ccc2ccccc2c1.c1ccc(cc1)N 2012-05-16T19:28:46Z 1436 naphthalene c1ccc2ccccc2c1 aniline c1ccc(cc1)N 1.780 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=aniline c1ccc2c(c1)ccc3c2cccc3.c1ccc(cc1)N 2012-05-16T19:28:46Z 1437 phenanthrene c1ccc2c(c1)ccc3c2cccc3 aniline c1ccc(cc1)N 1.113 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=aniline c1cc2ccc3cccc4c3c2c(c1)cc4.c1ccc(cc1)N 2012-05-16T19:28:46Z 1438 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 aniline c1ccc(cc1)N 0.361 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=aniline O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.c1ccc(cc1)N 2012-05-16T19:28:46Z 1439 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 aniline c1ccc(cc1)N 0.643 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=aniline O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.c1ccc(cc1)C=O 2012-05-16T19:28:46Z 1440 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 benzaldehyde c1ccc(cc1)C=O 0.073 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=benzaldehyde [O-][N+](=O)c2cccc1ccccc12.c1ccccc1 2012-05-16T19:28:46Z 1441 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 benzene c1ccccc1 3.884 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=benzene Brc1ccc(Br)cc1.c1ccccc1 2012-05-16T19:28:46Z 1442 1,4-dibromobenzene Brc1ccc(Br)cc1 benzene c1ccccc1 2.361 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=benzene O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC.c1ccccc1 2012-05-16T19:28:46Z 1443 2-(4-ethylbenzoyl)benzoic acid O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC benzene c1ccccc1 0.085 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(4-ethylbenzoyl)benzoic+acid&solvent=benzene CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-].c1ccccc1 2012-05-16T19:28:46Z 1444 2,3-dimethyl-2,3-dinitrobutane CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-] benzene c1ccccc1 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-dimethyl-2,3-dinitrobutane&solvent=benzene O=C(Nc1ccc(cc1)C(=O)O)C.c1ccccc1 2012-05-16T19:28:46Z 1445 4-acetamidobenzoic acid O=C(Nc1ccc(cc1)C(=O)O)C benzene c1ccccc1 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-acetamidobenzoic+acid&solvent=benzene O=C(O)c1ccc(N)cc1.c1ccccc1 2012-05-16T19:28:46Z 1446 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 benzene c1ccccc1 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=benzene O=C(O)c1ccc(O)cc1.c1ccccc1 2012-05-16T19:28:46Z 1447 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 benzene c1ccccc1 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=benzene c1cc(C=O)ccc1[N+](=O)[O-].c1ccccc1 2012-05-16T19:28:46Z 1448 4-nitrobenzaldehyde c1cc(C=O)ccc1[N+](=O)[O-] benzene c1ccccc1 0.461 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzaldehyde&solvent=benzene ClCc1ccc([N+]([O-])=O)cc1.c1ccccc1 2012-05-16T19:28:46Z 1449 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 benzene c1ccccc1 2.328 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=benzene c1c[n+](ccc1[N+](=O)[O-])[O-].c1ccccc1 2012-05-16T19:28:46Z 1450 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] benzene c1ccccc1 0.073 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=benzene O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3.c1ccccc1 2012-05-16T19:28:46Z 1451 4-pyrenebutanoic acid O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3 benzene c1ccccc1 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-pyrenebutanoic+acid&solvent=benzene O=C3c1ccccc1c2c3cccc2.c1ccccc1 2012-05-16T19:28:46Z 1452 9-fluorenone O=C3c1ccccc1c2c3cccc2 benzene c1ccccc1 2.610 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=benzene c1cc2cccc3c2c(c1)CC3.c1ccccc1 2012-05-16T19:28:46Z 1453 acenaphthene c1cc2cccc3c2c(c1)CC3 benzene c1ccccc1 1.711 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=benzene O=C(Nc1ccc(O)cc1)C.c1ccccc1 2012-05-16T19:28:46Z 1454 acetaminophen O=C(Nc1ccc(O)cc1)C benzene c1ccccc1 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=benzene O=C(Oc1ccccc1C(=O)O)C.c1ccccc1 2012-05-16T19:28:46Z 1455 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C benzene c1ccccc1 0.011 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=benzene c1ccc2cc3ccccc3cc2c1.c1ccccc1 2012-05-16T19:28:46Z 1456 anthracene c1ccc2cc3ccccc3cc2c1 benzene c1ccccc1 0.083 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=benzene c1ccc(cc1)C(=O)C(=O)c2ccccc2.c1ccccc1 2012-05-16T19:28:46Z 1457 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 benzene c1ccccc1 1.698 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=benzene O=C(O)c1ccccc1.c1ccccc1 2012-05-16T19:28:46Z 1458 benzoic acid O=C(O)c1ccccc1 benzene c1ccccc1 0.766 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=benzene c1ccc(cc1)C(C(=O)c2ccccc2)O.c1ccccc1 2012-05-16T19:28:46Z 1459 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O benzene c1ccccc1 0.105 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=benzene c1ccc(cc1)c2ccccc2.c1ccccc1 2012-05-16T19:28:46Z 1460 biphenyl c1ccc(cc1)c2ccccc2 benzene c1ccccc1 3.336 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=benzene O=C(OC(C)(C)C)NCC(=O)O.c1ccccc1 2012-05-16T19:28:46Z 1461 boc-glycine O=C(OC(C)(C)C)NCC(=O)O benzene c1ccccc1 0.255 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-glycine&solvent=benzene O=C2c1ccccc1C(=O)c3c2cccc3Cl.c1ccccc1 2012-05-16T19:28:46Z 1462 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl benzene c1ccccc1 0.135 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=benzene O=C(O)C=Cc1ccccc1.C1=CC=CC=C1 2012-05-16T19:28:46Z 1463 cinnamic acid O=C(O)C=Cc1ccccc1 benzene C1=CC=CC=C1 0.307 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=benzene O=C(O)/C=C/C.c1ccccc1 2012-05-16T19:28:46Z 1464 crotonic acid O=C(O)/C=C/C benzene c1ccccc1 4.450 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=crotonic+acid&solvent=benzene O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.c1ccccc1 2012-05-16T19:28:46Z 1465 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 benzene c1ccccc1 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=benzene O1C3C(OCCOCCOC2CCCCC2OCCOCC1)CCCC3.c1ccccc1 2012-05-16T19:28:46Z 1466 dicyclohexyl-18-crown-6 O1C3C(OCCOCCOC2CCCCC2OCCOCC1)CCCC3 benzene c1ccccc1 2.370 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dicyclohexyl-18-crown-6&solvent=benzene Clc1ccc(NC(=O)N(C)C)cc1Cl.c1ccccc1 2012-05-16T19:28:46Z 1467 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl benzene c1ccccc1 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=benzene c1ccc-2c(c1)-c3cccc4c3c2ccc4.c1ccccc1 2012-05-16T19:28:46Z 1468 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 benzene c1ccccc1 1.233 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=benzene c1ccc-2c(c1)Cc3c2cccc3.c1ccccc1 2012-05-16T19:28:46Z 1469 fluorene c1ccc-2c(c1)Cc3c2cccc3 benzene c1ccccc1 1.299 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=benzene c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.c1ccccc1 2012-05-16T19:28:46Z 1470 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F benzene c1ccccc1 0.118 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=benzene ClC(Cl)(Cl)C(Cl)(Cl)Cl.c1ccccc1 2012-05-16T19:28:46Z 1471 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl benzene c1ccccc1 2.034 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=benzene O=C(O)C(c1ccc(cc1)CC(C)C)C.c1ccccc1 2012-05-16T19:28:46Z 1472 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C benzene c1ccccc1 0.857 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=benzene O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.c1ccccc1 2012-05-16T19:28:46Z 1473 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C benzene c1ccccc1 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=benzene O=P(c1ccccc1)(c2ccccc2)C.c1ccccc1 2012-05-16T19:28:46Z 1474 methyl diphenylphosphine oxide O=P(c1ccccc1)(c2ccccc2)C benzene c1ccccc1 0.722 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+diphenylphosphine+oxide&solvent=benzene Clc1ccc(NC(=O)N(C)C)cc1.c1ccccc1 2012-05-16T19:28:46Z 1475 monuron Clc1ccc(NC(=O)N(C)C)cc1 benzene c1ccccc1 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=benzene c1ccc2ccccc2c1.c1ccccc1 2012-05-16T19:28:46Z 1476 naphthalene c1ccc2ccccc2c1 benzene c1ccccc1 2.951 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=benzene O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.c1ccccc1 2012-05-16T19:28:46Z 1477 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C benzene c1ccccc1 0.080 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=benzene O=C(O)c1cccnc1.c1ccccc1 2012-05-16T19:28:46Z 1478 nicotinic acid O=C(O)c1cccnc1 benzene c1ccccc1 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nicotinic+acid&solvent=benzene FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.c1ccccc1 2012-05-16T19:28:46Z 1479 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O benzene c1ccccc1 0.006 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=benzene O=C(Nc1ccc(OCC)cc1)C.c1ccccc1 2012-05-16T19:28:46Z 1480 phenacetin O=C(Nc1ccc(OCC)cc1)C benzene c1ccccc1 0.022 Non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=benzene c3cc2ccc1ccccc1c2cc3.c1ccccc1 2012-05-16T19:28:46Z 1481 phenanthrene c3cc2ccc1ccccc1c2cc3 benzene c1ccccc1 1.917 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=benzene O=Cc2cc3c(c1c2cccc1)cccc3.C1=CC=CC=C1 2012-05-16T19:28:46Z 1482 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 benzene C1=CC=CC=C1 0.660 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=benzene O=C(O)Cc1ccccc1.c1ccccc1 2012-05-16T19:28:46Z 1483 phenylacetic acid O=C(O)Cc1ccccc1 benzene c1ccccc1 3.350 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=benzene Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5.c1ccccc1 2012-05-16T19:28:46Z 1484 pimozide Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5 benzene c1ccccc1 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimozide&solvent=benzene c1cc2ccc3cccc4c3c2c(c1)cc4.c1ccccc1 2012-05-16T19:28:46Z 1485 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 benzene c1ccccc1 0.670 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=benzene O=C(O)c1ccccc1O.c1ccccc1 2012-05-16T19:28:46Z 1486 salicylic acid O=C(O)c1ccccc1O benzene c1ccccc1 0.061 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=benzene O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.c1ccccc1 2012-05-16T19:28:46Z 1487 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 benzene c1ccccc1 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=benzene c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.c1ccccc1 2012-05-16T19:28:46Z 1488 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 benzene c1ccccc1 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=benzene O=C1c3c(Sc2c1cccc2)cccc3.c1ccccc1 2012-05-16T19:28:46Z 1489 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 benzene c1ccccc1 0.058 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=benzene c1ccc(cc1)/C=C/c2ccccc2.c1ccccc1 2012-05-16T19:28:46Z 1490 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 benzene c1ccccc1 0.659 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=benzene CC(C)(C)NC(=O)C(N(CCCCCCC)C(=O)\C=C\C)c2cc3ccccc3c1ccccc12.c1ccccc1 2012-05-16T19:28:46Z 1491 Ugi product 148B CC(C)(C)NC(=O)C(N(CCCCCCC)C(=O)\C=C\C)c2cc3ccccc3c1ccccc12 benzene c1ccccc1 0.050 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+148B&solvent=benzene O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC.c1ccccc1 2012-05-16T19:28:46Z 1492 Ugi product 176C (UC) O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC benzene c1ccccc1 0.030 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+176C+(UC)&solvent=benzene O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C.c1ccccc1 2012-05-16T19:28:46Z 1493 Ugi product 206B(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C benzene c1ccccc1 0.006 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+206B(UC)&solvent=benzene O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2.c1ccc(cc1)C#N 2012-05-16T19:28:46Z 1494 2-amino-5-nitrobenzophenone O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2 benzonitrile c1ccc(cc1)C#N 0.509 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-amino-5-nitrobenzophenone&solvent=benzonitrile c1ccc2cc3ccccc3cc2c1.c1ccc(cc1)C#N 2012-05-16T19:28:46Z 1495 anthracene c1ccc2cc3ccccc3cc2c1 benzonitrile c1ccc(cc1)C#N 0.084 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=benzonitrile O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.c1ccc(cc1)C#N 2012-05-16T19:28:46Z 1496 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 benzonitrile c1ccc(cc1)C#N 0.120 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=benzonitrile c1cc2ccc3cccc4c3c2c(c1)cc4.c1ccc(cc1)C#N 2012-05-16T19:28:46Z 1497 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 benzonitrile c1ccc(cc1)C#N 0.102 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=benzonitrile O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2.c1ccc(cc1)CO 2012-05-16T19:28:46Z 1498 2-amino-5-nitrobenzophenone O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2 benzyl alcohol c1ccc(cc1)CO 0.163 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-amino-5-nitrobenzophenone&solvent=benzyl+alcohol [O-][N+](=O)c1cccc2c1C(=O)NC2=O.c1ccc(cc1)CO 2012-05-16T19:28:46Z 1499 3-nitrophthalimide [O-][N+](=O)c1cccc2c1C(=O)NC2=O benzyl alcohol c1ccc(cc1)CO 0.097 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalimide&solvent=benzyl+alcohol ClCc1ccc([N+]([O-])=O)cc1.c1ccc(cc1)CO 2012-05-16T19:28:46Z 1500 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 benzyl alcohol c1ccc(cc1)CO 2.419 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=benzyl+alcohol Fc1cc2c(cc1)NC(=O)C2=O.c1ccc(cc1)CO 2012-05-16T19:28:46Z 1501 5-fluoroisatin Fc1cc2c(cc1)NC(=O)C2=O benzyl alcohol c1ccc(cc1)CO 0.083 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluoroisatin&solvent=benzyl+alcohol O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.c1ccc(cc1)CO 2012-05-16T19:28:46Z 1502 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 benzyl alcohol c1ccc(cc1)CO 0.075 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=benzyl+alcohol O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.c1ccc(cc1)CO 2012-05-16T19:28:46Z 1503 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C benzyl alcohol c1ccc(cc1)CO 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=benzyl+alcohol c1ccc2cc(ccc2c1)O.c1ccc(cc1)Br 2012-05-16T19:28:46Z 1504 2-naphthol c1ccc2cc(ccc2c1)O bromobenzene c1ccc(cc1)Br 0.264 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=bromobenzene ClCc1ccc([N+]([O-])=O)cc1.c1ccc(cc1)Br 2012-05-16T19:28:46Z 1505 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 bromobenzene c1ccc(cc1)Br 0.150 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=bromobenzene c1ccc2cc3ccccc3cc2c1.Brc1ccccc1 2012-05-16T19:28:46Z 1506 anthracene c1ccc2cc3ccccc3cc2c1 bromobenzene Brc1ccccc1 0.113 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=bromobenzene c1cc2ccc3cccc4c3c2c(c1)cc4.Brc1ccccc1 2012-05-16T19:28:46Z 1507 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 bromobenzene Brc1ccccc1 1.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=bromobenzene c1ccc2ccccc2c1.CCCC(=O)O 2012-05-16T19:28:46Z 1508 naphthalene c1ccc2ccccc2c1 butanoic acid CCCC(=O)O 1.632 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=butanoic+acid CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-].CCC(=O)C 2012-05-16T19:28:46Z 1509 2,3-dimethyl-2,3-dinitrobutane CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-] butanone CCC(=O)C 0.068 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-dimethyl-2,3-dinitrobutane&solvent=butanone [O-][N+](=O)c1cccc2c1C(=O)NC2=O.CCC(=O)C 2012-05-16T19:28:46Z 1510 3-nitrophthalimide [O-][N+](=O)c1cccc2c1C(=O)NC2=O butanone CCC(=O)C 0.141 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalimide&solvent=butanone c1cc2cccc3c2c(c1)CC3.CCC(=O)C 2012-05-16T19:28:46Z 1511 acenaphthene c1cc2cccc3c2c(c1)CC3 butanone CCC(=O)C 1.344 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=butanone O=C(Nc1ccc(O)cc1)C.O=C(C)CC 2012-05-16T19:28:46Z 1512 acetaminophen O=C(Nc1ccc(O)cc1)C butanone O=C(C)CC 0.367 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=butanone c1ccc2c(c1)C(=O)c3ccccc3C2=O.CCC(=O)C 2012-05-16T19:28:46Z 1513 anthraquinone c1ccc2c(c1)C(=O)c3ccccc3C2=O butanone CCC(=O)C 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthraquinone&solvent=butanone Oc1ccc(cc1OC)C(C)=O.O=C(C)CC 2012-05-16T19:28:46Z 1514 apocynin Oc1ccc(cc1OC)C(C)=O butanone O=C(C)CC 0.661 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=apocynin&solvent=butanone O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C.CCC(=O)C 2012-05-16T19:28:46Z 1515 artemisinin O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C butanone CCC(=O)C 0.351 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=artemisinin&solvent=butanone c1ccc(cc1)C(=O)C(=O)c2ccccc2.CCC(=O)C 2012-05-16T19:28:46Z 1516 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 butanone CCC(=O)C 1.705 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=butanone c1ccc2c(c1)[nH]cn2.CCC(=O)C 2012-05-16T19:28:46Z 1517 benzimidazole c1ccc2c(c1)[nH]cn2 butanone CCC(=O)C 0.262 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=butanone O=C2c1ccccc1C(=O)c3c2cccc3Cl.O=C(C)CC 2012-05-16T19:28:46Z 1518 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl butanone O=C(C)CC 0.073 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=butanone N#CN\C(=N/C)NCCSCc1ncnc1C.O=C(C)CC 2012-05-16T19:28:46Z 1519 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C butanone O=C(C)CC 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=butanone O=Cc2cc(c1cc(cc(OC)c1O)C=O)c(O)c(OC)c2.O=C(C)CC 2012-05-16T19:28:46Z 1520 dehydrodivanillin O=Cc2cc(c1cc(cc(OC)c1O)C=O)c(O)c(OC)c2 butanone O=C(C)CC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dehydrodivanillin&solvent=butanone O=C(OC)c2cc(c1cc(cc(OC)c1O)C(=O)OC)c(O)c(OC)c2.O=C(C)CC 2012-05-16T19:28:46Z 1521 di(methyl vanillate) O=C(OC)c2cc(c1cc(cc(OC)c1O)C(=O)OC)c(O)c(OC)c2 butanone O=C(C)CC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=di(methyl+vanillate)&solvent=butanone O=C(c2cc(c1cc(cc(OC)c1O)C(=O)C)c(O)c(OC)c2)C.O=C(C)CC 2012-05-16T19:28:46Z 1522 diapocynin O=C(c2cc(c1cc(cc(OC)c1O)C(=O)C)c(O)c(OC)c2)C butanone O=C(C)CC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diapocynin&solvent=butanone O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC.CCC(=O)C 2012-05-16T19:28:46Z 1523 griseofulvin O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC butanone CCC(=O)C 0.106 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=griseofulvin&solvent=butanone O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC.CCC(=O)C 2012-05-16T19:28:46Z 1524 lovastatin O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC butanone CCC(=O)C 0.128 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lovastatin&solvent=butanone Fc1cc(cc(F)c1Br)N2C(=O)C=CC2=O.CCC(=O)C 2012-05-16T19:28:46Z 1525 N-[(4-bromo-3,5-difluoro)phenyl]maleimide Fc1cc(cc(F)c1Br)N2C(=O)C=CC2=O butanone CCC(=O)C 0.119 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-[(4-bromo-3,5-difluoro)phenyl]maleimide&solvent=butanone c1ccc2c(c1)ccc3c2cccc3.O=C(C)CC 2012-05-16T19:28:46Z 1526 phenanthrene c1ccc2c(c1)ccc3c2cccc3 butanone O=C(C)CC 1.984 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=butanone O=C(O)CCCCCCCCCCCCCCCCC.CCC(=O)C 2012-05-16T19:28:46Z 1527 stearic acid O=C(O)CCCCCCCCCCCCCCCCC butanone CCC(=O)C 0.122 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=stearic+acid&solvent=butanone O=C1c3c(Sc2c1cccc2)cccc3.O=C(C)CC 2012-05-16T19:28:46Z 1528 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 butanone O=C(C)CC 0.043 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=butanone Oc1ccc(cc1OC)C=O.O=C(C)CC 2012-05-16T19:28:46Z 1529 vanillin Oc1ccc(cc1OC)C=O butanone O=C(C)CC 2.138 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=vanillin&solvent=butanone O=C(O)Cn1nnnc1.CCCCOC(=O)C 2012-05-16T19:28:46Z 1530 1-H-tetrazole-1-acetic acid O=C(O)Cn1nnnc1 butyl acetate CCCCOC(=O)C 0.042 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-H-tetrazole-1-acetic+acid&solvent=butyl+acetate n1cnnc1.O=C(OCCCC)C 2012-05-16T19:28:46Z 1531 1,2,4-triazole n1cnnc1 butyl acetate O=C(OCCCC)C 0.186 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,4-triazole&solvent=butyl+acetate O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.O=C(OCCCC)C 2012-05-16T19:28:46Z 1532 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O butyl acetate O=C(OCCCC)C 0.460 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=butyl+acetate O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.O=C(OCCCC)C 2012-05-16T19:28:46Z 1533 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC butyl acetate O=C(OCCCC)C 0.325 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=butyl+acetate O=C(O)c1ccccc1OC.O=C(OCCCC)C 2012-05-16T19:28:46Z 1534 2-methoxybenzoic acid O=C(O)c1ccccc1OC butyl acetate O=C(OCCCC)C 0.340 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=butyl+acetate O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.O=C(OCCCC)C 2012-05-16T19:28:46Z 1535 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O butyl acetate O=C(OCCCC)C 0.200 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=butyl+acetate O=C(O)c1ccccc1C.O=C(OCCCC)C 2012-05-16T19:28:46Z 1536 2-methylbenzoic acid O=C(O)c1ccccc1C butyl acetate O=C(OCCCC)C 1.170 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=butyl+acetate O=C(O)c1cc(Cl)ccc1.CCCCOC(=O)C 2012-05-16T19:28:46Z 1537 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 butyl acetate CCCCOC(=O)C 0.510 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=butyl+acetate O=C(O)c1cc(ccc1)C.CCCCOC(=O)C 2012-05-16T19:28:46Z 1538 3-methylbenzoic acid O=C(O)c1cc(ccc1)C butyl acetate CCCCOC(=O)C 0.976 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=butyl+acetate O=[N+]([O-])c1cc(C(=O)O)ccc1.CCCCOC(=O)C 2012-05-16T19:28:46Z 1539 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 butyl acetate CCCCOC(=O)C 0.836 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=butyl+acetate O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)O.CCCCOC(=O)C 2012-05-16T19:28:46Z 1540 3-nitrophthalic acid O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)O butyl acetate CCCCOC(=O)C 0.031 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalic+acid&solvent=butyl+acetate O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.CCCCOC(=O)C 2012-05-16T19:28:46Z 1541 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O butyl acetate CCCCOC(=O)C 0.289 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=butyl+acetate O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.O=C(OCCCC)C 2012-05-16T19:28:46Z 1542 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O butyl acetate O=C(OCCCC)C 0.230 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=butyl+acetate O=C(O)c1ccc(Cl)cc1.CCCCOC(=O)C 2012-05-16T19:28:46Z 1543 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 butyl acetate CCCCOC(=O)C 0.071 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=butyl+acetate O=C(O)c1ccc(O)cc1.O=C(OCCCC)C 2012-05-16T19:28:46Z 1544 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 butyl acetate O=C(OCCCC)C 0.445 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=butyl+acetate COc1ccc(cc1)C(O)=O.O=C(OCCCC)C 2012-05-16T19:28:46Z 1545 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O butyl acetate O=C(OCCCC)C 0.080 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=butyl+acetate O=[N+]([O-])c1ccc(C(=O)O)cc1.O=C(OCCCC)C 2012-05-16T19:28:46Z 1546 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 butyl acetate O=C(OCCCC)C 0.080 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=butyl+acetate c1c[n+](ccc1[N+](=O)[O-])[O-].O=C(OCCCC)C 2012-05-16T19:28:46Z 1547 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] butyl acetate O=C(OCCCC)C 0.070 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=butyl+acetate c1cc2cccc3c2c(c1)CC3.O=C(OCCCC)C 2012-05-16T19:28:46Z 1548 acenaphthene c1cc2cccc3c2c(c1)CC3 butyl acetate O=C(OCCCC)C 1.042 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=butyl+acetate O=C(Oc1ccccc1C(=O)O)C.O=C(OCCCC)C 2012-05-16T19:28:46Z 1549 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C butyl acetate O=C(OCCCC)C 0.255 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=butyl+acetate c1ccc2cc3ccccc3cc2c1.O=C(OCCCC)C 2012-05-16T19:28:46Z 1550 anthracene c1ccc2cc3ccccc3cc2c1 butyl acetate O=C(OCCCC)C 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=butyl+acetate O=C(O)c1ccccc1.O=C(OCCCC)C 2012-05-16T19:28:46Z 1551 benzoic acid O=C(O)c1ccccc1 butyl acetate O=C(OCCCC)C 1.347 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=butyl+acetate c1ccc(cc1)C(C(=O)c2ccccc2)O.CCCCOC(=O)C 2012-05-16T19:28:46Z 1552 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O butyl acetate CCCCOC(=O)C 0.081 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=butyl+acetate O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5.CCCCOC(=O)C 2012-05-16T19:28:46Z 1553 betulinic acid O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5 butyl acetate CCCCOC(=O)C 0.009 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=betulinic+acid&solvent=butyl+acetate O=C(O)[C@H]1N(C(=O)[C@H](C)CS)CCC1.CCCCOC(=O)C 2012-05-16T19:28:46Z 1554 captopril O=C(O)[C@H]1N(C(=O)[C@H](C)CS)CCC1 butyl acetate CCCCOC(=O)C 0.081 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=captopril&solvent=butyl+acetate O=C2c1ccccc1C(=O)c3c2cccc3Cl.O=C(OCCCC)C 2012-05-16T19:28:46Z 1555 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl butyl acetate O=C(OCCCC)C 0.053 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=butyl+acetate O=S(=O)(c1ccccc1)c2ccccc2.CCCCOC(=O)C 2012-05-16T19:28:46Z 1556 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 butyl acetate CCCCOC(=O)C 0.257 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=butyl+acetate Clc1ccc(NC(=O)N(C)C)cc1Cl.CCCCOC(=O)C 2012-05-16T19:28:46Z 1557 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl butyl acetate CCCCOC(=O)C 0.076 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=butyl+acetate c1ccc-2c(c1)-c3cccc4c3c2ccc4.O=C(OCCCC)C 2012-05-16T19:28:46Z 1558 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 butyl acetate O=C(OCCCC)C 0.823 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=butyl+acetate c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.CCCCOC(=O)C 2012-05-16T19:28:46Z 1559 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F butyl acetate CCCCOC(=O)C 0.038 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=butyl+acetate c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.CCCCOC(=O)C 2012-05-16T19:28:46Z 1560 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl butyl acetate CCCCOC(=O)C 0.028 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=butyl+acetate c1cc(ccc1O)O.O=C(OCCCC)C 2012-05-16T19:28:46Z 1561 hydroquinone c1cc(ccc1O)O butyl acetate O=C(OCCCC)C 0.938 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydroquinone&solvent=butyl+acetate O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC.CCCCOC(=O)C 2012-05-16T19:28:46Z 1562 lovastatin O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC butyl acetate CCCCOC(=O)C 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lovastatin&solvent=butyl+acetate O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.CCCCOC(=O)C 2012-05-16T19:28:46Z 1563 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C butyl acetate CCCCOC(=O)C 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=butyl+acetate COC(=O)c1ccc(cc1)O.O=C(OCCCC)C 2012-05-16T19:28:46Z 1564 methylparaben COC(=O)c1ccc(cc1)O butyl acetate O=C(OCCCC)C 1.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=butyl+acetate O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.O=C(OCCCC)C 2012-05-16T19:28:46Z 1565 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C butyl acetate O=C(OCCCC)C 0.177 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=butyl+acetate c1ccc2c(c1)ccc3c2cccc3.CCCCOC(=O)C 2012-05-16T19:28:46Z 1566 phenanthrene c1ccc2c(c1)ccc3c2cccc3 butyl acetate CCCCOC(=O)C 1.334 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=butyl+acetate O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2.CCCCOC(=O)C 2012-05-16T19:28:46Z 1567 phloretin O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2 butyl acetate CCCCOC(=O)C 0.212 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phloretin&solvent=butyl+acetate c1cc2ccc3cccc4c3c2c(c1)cc4.CCCCOC(=O)C 2012-05-16T19:28:46Z 1568 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 butyl acetate CCCCOC(=O)C 0.447 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=butyl+acetate O=C(c1ccccc1O)N.O=C(OCCCC)C 2012-05-16T19:28:46Z 1569 salicylamide O=C(c1ccccc1O)N butyl acetate O=C(OCCCC)C 0.469 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=butyl+acetate O=C(O)c1ccccc1O.O=C(OCCCC)C 2012-05-16T19:28:46Z 1570 salicylic acid O=C(O)c1ccccc1O butyl acetate O=C(OCCCC)C 1.074 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=butyl+acetate O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CCCCOC(=O)C 2012-05-16T19:28:46Z 1571 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 butyl acetate CCCCOC(=O)C 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=butyl+acetate O=C1c3c(Sc2c1cccc2)cccc3.O=C(OCCCC)C 2012-05-16T19:28:46Z 1572 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 butyl acetate O=C(OCCCC)C 0.033 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=butyl+acetate O=C(O)[C@@H](N(C(=O)CCCC)Cc3ccc(c1ccccc1c2nnnn2)cc3)C(C)C.CCCCOC(=O)C 2012-05-16T19:28:46Z 1573 valsartan O=C(O)[C@@H](N(C(=O)CCCC)Cc3ccc(c1ccccc1c2nnnn2)cc3)C(C)C butyl acetate CCCCOC(=O)C 0.036 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=valsartan&solvent=butyl+acetate c1ccc(cc1)c2ccc(cc2)O.O=C(OCCCC)CCC 2012-05-16T19:28:46Z 1574 4-phenylphenol c1ccc(cc1)c2ccc(cc2)O butyl butyrate O=C(OCCCC)CCC 0.620 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-phenylphenol&solvent=butyl+butyrate c1ccc2c(c1)C(=O)c3ccccc3C2=O.O=C(OCCCC)CCC 2012-05-16T19:28:46Z 1575 anthraquinone c1ccc2c(c1)C(=O)c3ccccc3C2=O butyl butyrate O=C(OCCCC)CCC 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthraquinone&solvent=butyl+butyrate c1ccc2c(c1)c3ccccc3[nH]2.O=C(OCCCC)CCC 2012-05-16T19:28:46Z 1576 carbazole c1ccc2c(c1)c3ccccc3[nH]2 butyl butyrate O=C(OCCCC)CCC 0.099 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbazole&solvent=butyl+butyrate c1ccc(cc1)C(=O)C(=O)c2ccccc2.C(CCC1CCCCC1)C 2012-05-16T19:28:46Z 1577 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 butylcyclohexane C(CCC1CCCCC1)C 0.063 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=butylcyclohexane [O-][N+](=O)c2cccc1ccccc12.CCCC#N 2012-05-16T19:28:46Z 1578 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 butyronitrile CCCC#N 3.611 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=butyronitrile O=C3c1ccccc1c2c3cccc2.N#CCCC 2012-05-16T19:28:46Z 1579 9-fluorenone O=C3c1ccccc1c2c3cccc2 butyronitrile N#CCCC 1.930 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=butyronitrile c1cc2cccc3c2c(c1)CC3.N#CCCC 2012-05-16T19:28:46Z 1580 acenaphthene c1cc2cccc3c2c(c1)CC3 butyronitrile N#CCCC 1.053 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=butyronitrile c1ccc2cc3ccccc3cc2c1.N#CCCC 2012-05-16T19:28:46Z 1581 anthracene c1ccc2cc3ccccc3cc2c1 butyronitrile N#CCCC 0.051 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=butyronitrile c1ccc(cc1)C(=O)C(=O)c2ccccc2.N#CCCC 2012-05-16T19:28:46Z 1582 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 butyronitrile N#CCCC 1.483 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=butyronitrile O=C2c1ccccc1C(=O)c3c2cccc3Cl.N#CCCC 2012-05-16T19:28:46Z 1583 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl butyronitrile N#CCCC 0.059 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=butyronitrile c1c(c(cc(c1C)C)C)C.N#CCCC 2012-05-16T19:28:46Z 1584 durene c1c(c(cc(c1C)C)C)C butyronitrile N#CCCC 1.370 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=butyronitrile c1ccc-2c(c1)Cc3c2cccc3.CCCC#N 2012-05-16T19:28:46Z 1585 fluorene c1ccc-2c(c1)Cc3c2cccc3 butyronitrile CCCC#N 0.919 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=butyronitrile c1ccc2c(c1)Nc3ccccc3S2.CCCC#N 2012-05-16T19:28:46Z 1586 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 butyronitrile CCCC#N 0.595 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=butyronitrile c1cc2ccc3cccc4c3c2c(c1)cc4.N#CCCC 2012-05-16T19:28:46Z 1587 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 butyronitrile N#CCCC 0.485 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=butyronitrile O=C1c3c(Sc2c1cccc2)cccc3.N#CCCC 2012-05-16T19:28:46Z 1588 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 butyronitrile N#CCCC 0.032 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=butyronitrile c1ccc2cc3ccccc3cc2c1.C(=S)=S 2012-05-16T19:28:46Z 1589 anthracene c1ccc2cc3ccccc3cc2c1 carbon disulfide C(=S)=S 0.137 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=carbon+disulfide O=C(O)c1ccccc1.S=C=S 2012-05-16T19:28:46Z 1590 benzoic acid O=C(O)c1ccccc1 carbon disulfide S=C=S 0.500 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=carbon+disulfide c1ccc(cc1)c2ccccc2.S=C=S 2012-05-16T19:28:46Z 1591 biphenyl c1ccc(cc1)c2ccccc2 carbon disulfide S=C=S 3.881 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=carbon+disulfide Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.C(=S)=S 2012-05-16T19:28:46Z 1592 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F carbon disulfide C(=S)=S 0.733 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=carbon+disulfide ClC(Cl)(Cl)C(Cl)(Cl)Cl.C(=S)=S 2012-05-16T19:28:46Z 1593 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl carbon disulfide C(=S)=S 2.650 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=carbon+disulfide c1ccc2ccccc2c1.S=C=S 2012-05-16T19:28:46Z 1594 naphthalene c1ccc2ccccc2c1 carbon disulfide S=C=S 3.619 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=carbon+disulfide Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.C(=S)=S 2012-05-16T19:28:46Z 1595 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F carbon disulfide C(=S)=S 0.827 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=carbon+disulfide c3cc2ccc1ccccc1c2cc3.S=C=S 2012-05-16T19:28:46Z 1596 phenanthrene c3cc2ccc1ccccc1c2cc3 carbon disulfide S=C=S 2.938 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=carbon+disulfide Brc1ccc(Br)cc1.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1597 1,4-dibromobenzene Brc1ccc(Br)cc1 carbon tetrachloride ClC(Cl)(Cl)Cl 2.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=carbon+tetrachloride c1ccc2cc(ccc2c1)O.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1598 2-naphthol c1ccc2cc(ccc2c1)O carbon tetrachloride ClC(Cl)(Cl)Cl 0.054 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=carbon+tetrachloride c1cc(C=O)ccc1[N+](=O)[O-].C(Cl)(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1599 4-nitrobenzaldehyde c1cc(C=O)ccc1[N+](=O)[O-] carbon tetrachloride C(Cl)(Cl)(Cl)Cl 0.070 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzaldehyde&solvent=carbon+tetrachloride ClCc1ccc([N+]([O-])=O)cc1.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1600 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 carbon tetrachloride ClC(Cl)(Cl)Cl 0.563 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=carbon+tetrachloride c1c[n+](ccc1[N+](=O)[O-])[O-].ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1601 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] carbon tetrachloride ClC(Cl)(Cl)Cl 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=carbon+tetrachloride O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3.C(Cl)(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1602 4-pyrenebutanoic acid O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3 carbon tetrachloride C(Cl)(Cl)(Cl)Cl 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-pyrenebutanoic+acid&solvent=carbon+tetrachloride O=C(O)c1cc(ccc1O)N.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1603 5-aminosalicylic acid O=C(O)c1cc(ccc1O)N carbon tetrachloride ClC(Cl)(Cl)Cl 0.035 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-aminosalicylic+acid&solvent=carbon+tetrachloride O=C3c1ccccc1c2c3cccc2.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1604 9-fluorenone O=C3c1ccccc1c2c3cccc2 carbon tetrachloride ClC(Cl)(Cl)Cl 1.830 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=carbon+tetrachloride c1cc2cccc3c2c(c1)CC3.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1605 acenaphthene c1cc2cccc3c2c(c1)CC3 carbon tetrachloride ClC(Cl)(Cl)Cl 1.517 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=carbon+tetrachloride O=C(Nc1ccc(O)cc1)C.[C](Cl)(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1606 acetaminophen O=C(Nc1ccc(O)cc1)C carbon tetrachloride [C](Cl)(Cl)(Cl)Cl 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=carbon+tetrachloride c1ccc2cc3ccccc3cc2c1.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1607 anthracene c1ccc2cc3ccccc3cc2c1 carbon tetrachloride ClC(Cl)(Cl)Cl 0.048 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=carbon+tetrachloride c1ccc(cc1)C(=O)C(=O)c2ccccc2.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1608 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 carbon tetrachloride ClC(Cl)(Cl)Cl 0.776 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=carbon+tetrachloride O=C(O)c1ccccc1.[C](Cl)(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1609 benzoic acid O=C(O)c1ccccc1 carbon tetrachloride [C](Cl)(Cl)(Cl)Cl 0.556 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=carbon+tetrachloride O=C(c1ccccc1)c2ccccc2.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1610 benzophenone O=C(c1ccccc1)c2ccccc2 carbon tetrachloride ClC(Cl)(Cl)Cl 4.158 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzophenone&solvent=carbon+tetrachloride C1=CC(=O)C=CC1=O.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1611 benzoquinone C1=CC(=O)C=CC1=O carbon tetrachloride ClC(Cl)(Cl)Cl 0.385 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoquinone&solvent=carbon+tetrachloride c1ccc(cc1)c2ccccc2.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1612 biphenyl c1ccc(cc1)c2ccccc2 carbon tetrachloride ClC(Cl)(Cl)Cl 3.061 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=carbon+tetrachloride O=C(O)C=Cc1ccccc1.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1613 cinnamic acid O=C(O)C=Cc1ccccc1 carbon tetrachloride ClC(Cl)(Cl)Cl 0.126 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=carbon+tetrachloride Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1614 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F carbon tetrachloride ClC(Cl)(Cl)Cl 2.405 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=carbon+tetrachloride O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1615 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 carbon tetrachloride ClC(Cl)(Cl)Cl 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=carbon+tetrachloride Clc1ccc(NC(=O)N(C)C)cc1Cl.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1616 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl carbon tetrachloride ClC(Cl)(Cl)Cl 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=carbon+tetrachloride c1ccc-2c(c1)-c3cccc4c3c2ccc4.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1617 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 carbon tetrachloride ClC(Cl)(Cl)Cl 0.797 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=carbon+tetrachloride ClC(Cl)(Cl)C(Cl)(Cl)Cl.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1618 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl carbon tetrachloride ClC(Cl)(Cl)Cl 2.160 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=carbon+tetrachloride O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1619 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C carbon tetrachloride ClC(Cl)(Cl)Cl 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=carbon+tetrachloride Clc1ccc(NC(=O)N(C)C)cc1.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1620 monuron Clc1ccc(NC(=O)N(C)C)cc1 carbon tetrachloride ClC(Cl)(Cl)Cl 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=carbon+tetrachloride c1ccc2ccccc2c1.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1621 naphthalene c1ccc2ccccc2c1 carbon tetrachloride ClC(Cl)(Cl)Cl 2.534 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=carbon+tetrachloride Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1622 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F carbon tetrachloride ClC(Cl)(Cl)Cl 2.444 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=carbon+tetrachloride Fc4cc1c2N(/C=C(\C1=O)C(=O)O)C(COc2c4N3CCN(C)CC3)C.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1623 ofloxacin Fc4cc1c2N(/C=C(\C1=O)C(=O)O)C(COc2c4N3CCN(C)CC3)C carbon tetrachloride ClC(Cl)(Cl)Cl 0.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ofloxacin&solvent=carbon+tetrachloride c3cc2ccc1ccccc1c2cc3.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1624 phenanthrene c3cc2ccc1ccccc1c2cc3 carbon tetrachloride ClC(Cl)(Cl)Cl 1.469 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=carbon+tetrachloride O=C(O)Cc1ccccc1.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1625 phenylacetic acid O=C(O)Cc1ccccc1 carbon tetrachloride ClC(Cl)(Cl)Cl 1.846 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=carbon+tetrachloride O=C(c1cc(Cl)c(Cl)n1)c2c(O)cccc2O.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1626 pyoluteorin O=C(c1cc(Cl)c(Cl)n1)c2c(O)cccc2O carbon tetrachloride ClC(Cl)(Cl)Cl 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyoluteorin&solvent=carbon+tetrachloride c1cc2ccc3cccc4c3c2c(c1)cc4.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1627 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 carbon tetrachloride ClC(Cl)(Cl)Cl 0.423 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=carbon+tetrachloride c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1628 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 carbon tetrachloride ClC(Cl)(Cl)Cl 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=carbon+tetrachloride c1ccc(cc1)/C=C/c2ccccc2.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1629 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 carbon tetrachloride ClC(Cl)(Cl)Cl 0.428 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=carbon+tetrachloride O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1630 Ugi product 206B(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C carbon tetrachloride ClC(Cl)(Cl)Cl 0.003 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+206B(UC)&solvent=carbon+tetrachloride O2c1ccccc1Cc3c2cccc3.ClC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1631 xanthene O2c1ccccc1Cc3c2cccc3 carbon tetrachloride ClC(Cl)(Cl)Cl 1.250 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=carbon+tetrachloride O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2.c1ccc(cc1)Cl 2012-05-16T19:28:46Z 1632 2-amino-5-nitrobenzophenone O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2 chlorobenzene c1ccc(cc1)Cl 0.504 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-amino-5-nitrobenzophenone&solvent=chlorobenzene c1ccc2cc(ccc2c1)O.c1ccc(cc1)Cl 2012-05-16T19:28:46Z 1633 2-naphthol c1ccc2cc(ccc2c1)O chlorobenzene c1ccc(cc1)Cl 0.226 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=chlorobenzene O=C(O)c1ccc(N)cc1.Clc1ccccc1 2012-05-16T19:28:46Z 1634 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 chlorobenzene Clc1ccccc1 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=chlorobenzene c1c[n+](ccc1[N+](=O)[O-])[O-].Clc1ccccc1 2012-05-16T19:28:46Z 1635 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] chlorobenzene Clc1ccccc1 0.058 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=chlorobenzene c1ccc2cc3ccccc3cc2c1.Clc1ccccc1 2012-05-16T19:28:46Z 1636 anthracene c1ccc2cc3ccccc3cc2c1 chlorobenzene Clc1ccccc1 0.097 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=chlorobenzene c1ccc(cc1)C(=O)C(=O)c2ccccc2.c1ccc(cc1)Cl 2012-05-16T19:28:46Z 1637 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 chlorobenzene c1ccc(cc1)Cl 1.698 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=chlorobenzene O=C(O)c1ccccc1.Clc1ccccc1 2012-05-16T19:28:46Z 1638 benzoic acid O=C(O)c1ccccc1 chlorobenzene Clc1ccccc1 0.850 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=chlorobenzene c1ccc(cc1)c2ccccc2.Clc1ccccc1 2012-05-16T19:28:46Z 1639 biphenyl c1ccc(cc1)c2ccccc2 chlorobenzene Clc1ccccc1 3.249 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=chlorobenzene c1cccc2oc(nc12)CSCc3nc4ccccc4o3.c1ccc(cc1)Cl 2012-05-16T19:28:46Z 1640 bis(benzoxazolyl-2-methyl)sulfide c1cccc2oc(nc12)CSCc3nc4ccccc4o3 chlorobenzene c1ccc(cc1)Cl 0.152 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=bis(benzoxazolyl-2-methyl)sulfide&solvent=chlorobenzene O=C2c1ccccc1C(=O)c3c2cccc3Cl.Clc1ccccc1 2012-05-16T19:28:46Z 1641 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl chlorobenzene Clc1ccccc1 0.191 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=chlorobenzene O=C(O)C=Cc1ccccc1.Clc1ccccc1 2012-05-16T19:28:46Z 1642 cinnamic acid O=C(O)C=Cc1ccccc1 chlorobenzene Clc1ccccc1 0.355 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=chlorobenzene Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.c1ccc(cc1)Cl 2012-05-16T19:28:46Z 1643 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F chlorobenzene c1ccc(cc1)Cl 3.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=chlorobenzene Clc1ccc(NC(=O)N(C)C)cc1Cl.c1ccc(cc1)Cl 2012-05-16T19:28:46Z 1644 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl chlorobenzene c1ccc(cc1)Cl 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=chlorobenzene ClC(Cl)(Cl)C(Cl)(Cl)Cl.Clc1ccccc1 2012-05-16T19:28:46Z 1645 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl chlorobenzene Clc1ccccc1 1.898 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=chlorobenzene O=C(O)C(c1ccc(cc1)CC(C)C)C.Clc1ccccc1 2012-05-16T19:28:46Z 1646 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C chlorobenzene Clc1ccccc1 1.940 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=chlorobenzene Clc1ccc(NC(=O)N(C)C)cc1.c1ccc(cc1)Cl 2012-05-16T19:28:46Z 1647 monuron Clc1ccc(NC(=O)N(C)C)cc1 chlorobenzene c1ccc(cc1)Cl 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=chlorobenzene c1ccc2ccccc2c1.Clc1ccccc1 2012-05-16T19:28:46Z 1648 naphthalene c1ccc2ccccc2c1 chlorobenzene Clc1ccccc1 2.881 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=chlorobenzene O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.Clc1ccccc1 2012-05-16T19:28:46Z 1649 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C chlorobenzene Clc1ccccc1 0.087 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=chlorobenzene FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.Clc1ccccc1 2012-05-16T19:28:46Z 1650 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O chlorobenzene Clc1ccccc1 0.049 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=chlorobenzene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.c1ccc(cc1)Cl 2012-05-16T19:28:46Z 1651 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F chlorobenzene c1ccc(cc1)Cl 2.868 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=chlorobenzene O=C(O)c1ccccc1O.Clc1ccccc1 2012-05-16T19:28:46Z 1652 salicylic acid O=C(O)c1ccccc1O chlorobenzene Clc1ccccc1 0.066 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=chlorobenzene O=C(O)CCCCCCCCCCCCCCCCC.c1ccc(cc1)Cl 2012-05-16T19:28:46Z 1653 stearic acid O=C(O)CCCCCCCCCCCCCCCCC chlorobenzene c1ccc(cc1)Cl 0.084 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=stearic+acid&solvent=chlorobenzene O=C1c3c(Sc2c1cccc2)cccc3.Clc1ccccc1 2012-05-16T19:28:46Z 1654 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 chlorobenzene Clc1ccccc1 0.085 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=chlorobenzene c1ccc(cc1)/C=C/c2ccccc2.Clc1ccccc1 2012-05-16T19:28:46Z 1655 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 chlorobenzene Clc1ccccc1 0.693 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=chlorobenzene c1ccc2cc3ccccc3cc2c1.ClC1CCCCC1 2012-05-16T19:28:46Z 1656 anthracene c1ccc2cc3ccccc3cc2c1 chlorocyclohexane ClC1CCCCC1 0.053 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=chlorocyclohexane c1ccc2c(c1)c3ccccc3[nH]2.ClC1CCCCC1 2012-05-16T19:28:46Z 1657 carbazole c1ccc2c(c1)c3ccccc3[nH]2 chlorocyclohexane ClC1CCCCC1 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbazole&solvent=chlorocyclohexane O=C2c1ccccc1C(=O)c3c2cccc3Cl.ClC1CCCCC1 2012-05-16T19:28:46Z 1658 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl chlorocyclohexane ClC1CCCCC1 0.040 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=chlorocyclohexane O=S(=O)(c1ccccc1)c2ccccc2.ClC1CCCCC1 2012-05-16T19:28:46Z 1659 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 chlorocyclohexane ClC1CCCCC1 0.208 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=chlorocyclohexane Clc1ccc(NC(=O)N(C)C)cc1Cl.ClC1CCCCC1 2012-05-16T19:28:46Z 1660 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl chlorocyclohexane ClC1CCCCC1 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=chlorocyclohexane c1ccc-2c(c1)-c3cccc4c3c2ccc4.ClC1CCCCC1 2012-05-16T19:28:46Z 1661 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 chlorocyclohexane ClC1CCCCC1 0.925 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=chlorocyclohexane c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.ClC1CCCCC1 2012-05-16T19:28:46Z 1662 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl chlorocyclohexane ClC1CCCCC1 0.051 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=chlorocyclohexane c1cc2ccc3cccc4c3c2c(c1)cc4.ClC1CCCCC1 2012-05-16T19:28:46Z 1663 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 chlorocyclohexane ClC1CCCCC1 0.066 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=chlorocyclohexane O=C1c3c(Sc2c1cccc2)cccc3.ClC1CCCCC1 2012-05-16T19:28:46Z 1664 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 chlorocyclohexane ClC1CCCCC1 0.031 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=chlorocyclohexane c1cc2cccc3c2c(c1)CC3.Cl\C=C 2012-05-16T19:28:46Z 1665 acenaphthene c1cc2cccc3c2c(c1)CC3 chloroethene Cl\C=C 2.252 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=chloroethene c1ccc2ccccc2c1.Cl\C=C 2012-05-16T19:28:46Z 1666 naphthalene c1ccc2ccccc2c1 chloroethene Cl\C=C 3.414 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=chloroethene O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2.ClC(Cl)Cl 2012-05-16T19:28:46Z 1667 2-amino-5-nitrobenzophenone O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2 chloroform ClC(Cl)Cl 0.097 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-amino-5-nitrobenzophenone&solvent=chloroform c1cc(ncc1CCl)Cl.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1668 2-chloro-5-chloromethylpyridine c1cc(ncc1CCl)Cl chloroform C(Cl)(Cl)Cl 0.807 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-chloromethylpyridine&solvent=chloroform O=Cc1cc(ccc1Cl)[N+]([O-])=O.ClC(Cl)Cl 2012-05-16T19:28:46Z 1669 2-chloro-5-nitrobenzaldehyde O=Cc1cc(ccc1Cl)[N+]([O-])=O chloroform ClC(Cl)Cl 2.900 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzaldehyde&solvent=chloroform O=C(O)c1ccccc1OC.ClC(Cl)Cl 2012-05-16T19:28:46Z 1670 2-methoxybenzoic acid O=C(O)c1ccccc1OC chloroform ClC(Cl)Cl 2.005 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=chloroform O=C(N)C1CC1(C)C.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1671 2,2-dimethylcyclopropanecarboxamide O=C(N)C1CC1(C)C chloroform C(Cl)(Cl)Cl 0.530 Non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,2-dimethylcyclopropanecarboxamide&solvent=chloroform O=C(O)c1cc(O)ccc1O.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1672 2,5-dihydroxybenzoic acid O=C(O)c1cc(O)ccc1O chloroform C(Cl)(Cl)Cl 0.008 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,5-dihydroxybenzoic+acid&solvent=chloroform O=Cc1c(Cl)cccc1Cl.ClC(Cl)Cl 2012-05-16T19:28:46Z 1673 2,6-dichlorobenzaldehyde O=Cc1c(Cl)cccc1Cl chloroform ClC(Cl)Cl 3.410 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,6-dichlorobenzaldehyde&solvent=chloroform O=C(O)c1ccc(N)cc1.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1674 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 chloroform C(Cl)(Cl)Cl 0.144 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=chloroform O=Cc1ccc(Cl)cc1.ClC(Cl)Cl 2012-05-16T19:28:46Z 1675 4-chlorobenzaldehyde O=Cc1ccc(Cl)cc1 chloroform ClC(Cl)Cl 3.610 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzaldehyde&solvent=chloroform O=Cc1ccc(N(C)C)cc1.ClC(Cl)Cl 2012-05-16T19:28:46Z 1676 4-dimethylaminobenzaldehyde O=Cc1ccc(N(C)C)cc1 chloroform ClC(Cl)Cl 4.020 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-dimethylaminobenzaldehyde&solvent=chloroform O=Cc1ccc(O)cc1.ClC(Cl)Cl 2012-05-16T19:28:46Z 1677 4-hydroxybenzaldehyde O=Cc1ccc(O)cc1 chloroform ClC(Cl)Cl 1.750 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzaldehyde&solvent=chloroform O=C(O)c1ccc(O)cc1.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1678 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 chloroform C(Cl)(Cl)Cl 0.002 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=chloroform O=C(O)Cc1ccc(O)cc1.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1679 4-hydroxyphenylacetic acid O=C(O)Cc1ccc(O)cc1 chloroform C(Cl)(Cl)Cl 1.497 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxyphenylacetic+acid&solvent=chloroform Cc1ccc(cc1)C(=O)O.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1680 4-methylbenzoic acid Cc1ccc(cc1)C(=O)O chloroform C(Cl)(Cl)Cl 0.272 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methylbenzoic+acid&solvent=chloroform c1cc(C=O)ccc1[N+](=O)[O-].ClC(Cl)Cl 2012-05-16T19:28:46Z 1681 4-nitrobenzaldehyde c1cc(C=O)ccc1[N+](=O)[O-] chloroform ClC(Cl)Cl 1.018 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzaldehyde&solvent=chloroform ClCc1ccc([N+]([O-])=O)cc1.ClC(Cl)Cl 2012-05-16T19:28:46Z 1682 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 chloroform ClC(Cl)Cl 2.735 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=chloroform O=C(O)CCCc1ccccc1.ClC(Cl)Cl 2012-05-16T19:28:46Z 1683 4-phenylbutyric acid O=C(O)CCCc1ccccc1 chloroform ClC(Cl)Cl 4.040 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-phenylbutyric+acid&solvent=chloroform c1ccc(cc1)c2ccc(cc2)O.ClC(Cl)Cl 2012-05-16T19:28:46Z 1684 4-phenylphenol c1ccc(cc1)c2ccc(cc2)O chloroform ClC(Cl)Cl 0.100 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-phenylphenol&solvent=chloroform O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3.ClC(Cl)Cl 2012-05-16T19:28:46Z 1685 4-pyrenebutanoic acid O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3 chloroform ClC(Cl)Cl 0.030 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-pyrenebutanoic+acid&solvent=chloroform Clc2cccc(Cl)c2Nc1ccccc1CC(=O)OCC(=O)O.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1686 aceclofenac Clc2cccc(Cl)c2Nc1ccccc1CC(=O)OCC(=O)O chloroform C(Cl)(Cl)Cl 0.095 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac&solvent=chloroform CC(C(=O)OC)NC(=O)COC(=O)CC1=CC=CC=CC1NC2=C(CC=CC=C2Cl)Cl.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1687 aceclofenac alanine methyl aster CC(C(=O)OC)NC(=O)COC(=O)CC1=CC=CC=CC1NC2=C(CC=CC=C2Cl)Cl chloroform C(Cl)(Cl)Cl 0.090 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac+alanine+methyl+aster&solvent=chloroform CC(C)CC(C(=O)OC)NC(=O)COC(=O)CC1=CC=CC=CC1NC2=C(C=CC=CC2Cl)Cl.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1688 aceclofenac leucine methyl aster CC(C)CC(C(=O)OC)NC(=O)COC(=O)CC1=CC=CC=CC1NC2=C(C=CC=CC2Cl)Cl chloroform C(Cl)(Cl)Cl 0.082 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac+leucine+methyl+aster&solvent=chloroform COC(=O)C1CCCN1C(=O)COC(=O)CC2=CC(C=CC=C2)NC3=C(C=CC=CC3Cl)Cl.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1689 aceclofenac proline methyl aster COC(=O)C1CCCN1C(=O)COC(=O)CC2=CC(C=CC=C2)NC3=C(C=CC=CC3Cl)Cl chloroform C(Cl)(Cl)Cl 0.099 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac+proline+methyl+aster&solvent=chloroform CC(C)C(C(=O)OC)NC(=O)COC(=O)CC1=CC(C=CC=C1)NC2=C(C=CC=CC2Cl)Cl.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1690 aceclofenac valine methyl aster CC(C)C(C(=O)OC)NC(=O)COC(=O)CC1=CC(C=CC=C1)NC2=C(C=CC=CC2Cl)Cl chloroform C(Cl)(Cl)Cl 0.082 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac+valine+methyl+aster&solvent=chloroform c1cc2cccc3c2c(c1)CC3.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1691 acenaphthene c1cc2cccc3c2c(c1)CC3 chloroform C(Cl)(Cl)Cl 2.114 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=chloroform O=C(Nc1ccc(O)cc1)C.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1692 acetaminophen O=C(Nc1ccc(O)cc1)C chloroform C(Cl)(Cl)Cl 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=chloroform O=C(Nc1ccccc1)C.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1693 acetanilide O=C(Nc1ccccc1)C chloroform C(Cl)(Cl)Cl 1.860 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=chloroform O=C(Oc1ccccc1C(=O)O)C.ClC(Cl)Cl 2012-05-16T19:28:46Z 1694 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C chloroform ClC(Cl)Cl 0.851 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=chloroform C(CCC(=O)O)CC(=O)O.ClC(Cl)Cl 2012-05-16T19:28:46Z 1695 adipic acid C(CCC(=O)O)CC(=O)O chloroform ClC(Cl)Cl 0.027 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adipic+acid&solvent=chloroform c1ccc2cc3ccccc3cc2c1.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1696 anthracene c1ccc2cc3ccccc3cc2c1 chloroform C(Cl)(Cl)Cl 0.133 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=chloroform O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C.ClC(Cl)Cl 2012-05-16T19:28:46Z 1697 artemisinin O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C chloroform ClC(Cl)Cl 1.083 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=artemisinin&solvent=chloroform O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO.ClC(Cl)Cl 2012-05-16T19:28:46Z 1698 ascorbic acid O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO chloroform ClC(Cl)Cl 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ascorbic+acid&solvent=chloroform O=C(O)c2ccc([N+](/[O-])=N/c1ccc(cc1)C(=O)O)cc2.ClC(Cl)Cl 2012-05-16T19:28:46Z 1699 azoxydibenzoic acid O=C(O)c2ccc([N+](/[O-])=N/c1ccc(cc1)C(=O)O)cc2 chloroform ClC(Cl)Cl 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=azoxydibenzoic+acid&solvent=chloroform c1ccc2c(c1)[nH]cn2.ClC(Cl)Cl 2012-05-16T19:28:46Z 1700 benzimidazole c1ccc2c(c1)[nH]cn2 chloroform ClC(Cl)Cl 0.056 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=chloroform c1ccccc1C(=O)O.ClC(Cl)Cl 2012-05-16T19:28:46Z 1701 benzoic acid c1ccccc1C(=O)O chloroform ClC(Cl)Cl 1.516 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=chloroform c1ccc(cc1)c2ccccc2.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1702 biphenyl c1ccc(cc1)c2ccccc2 chloroform C(Cl)(Cl)Cl 3.814 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=chloroform O=C(OC(C)(C)C)NCC(=O)O.ClC(Cl)Cl 2012-05-16T19:28:46Z 1703 boc-glycine O=C(OC(C)(C)C)NCC(=O)O chloroform ClC(Cl)Cl 3.850 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-glycine&solvent=chloroform c1ccc2c(c1)c3ccccc3[nH]2.ClC(Cl)Cl 2012-05-16T19:28:46Z 1704 carbazole c1ccc2c(c1)c3ccccc3[nH]2 chloroform ClC(Cl)Cl 0.046 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbazole&solvent=chloroform O=C(O)C=Cc1ccccc1.ClC(Cl)Cl 2012-05-16T19:28:46Z 1705 cinnamic acid O=C(O)C=Cc1ccccc1 chloroform ClC(Cl)Cl 0.966 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=chloroform O=C(O)CC(O)(C(=O)O)CC(=O)O.ClC(Cl)Cl 2012-05-16T19:28:46Z 1706 citric acid anhydrous O=C(O)CC(O)(C(=O)O)CC(=O)O chloroform ClC(Cl)Cl 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=citric+acid+anhydrous&solvent=chloroform O=C(O)/C=C/C.ClC(Cl)Cl 2012-05-16T19:28:46Z 1707 crotonic acid O=C(O)/C=C/C chloroform ClC(Cl)Cl 7.340 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=crotonic+acid&solvent=chloroform Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.ClC(Cl)Cl 2012-05-16T19:28:46Z 1708 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F chloroform ClC(Cl)Cl 2.863 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=chloroform O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.ClC(Cl)Cl 2012-05-16T19:28:46Z 1709 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 chloroform ClC(Cl)Cl 0.210 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=chloroform Clc1ccc(NC(=O)N(C)C)cc1Cl.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1710 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl chloroform C(Cl)(Cl)Cl 0.066 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=chloroform c1ccc-2c(c1)-c3cccc4c3c2ccc4.ClC(Cl)Cl 2012-05-16T19:28:46Z 1711 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 chloroform ClC(Cl)Cl 1.545 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=chloroform c1ccc-2c(c1)Cc3c2cccc3.ClC(Cl)Cl 2012-05-16T19:28:46Z 1712 fluorene c1ccc-2c(c1)Cc3c2cccc3 chloroform ClC(Cl)Cl 1.502 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=chloroform c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.ClC(Cl)Cl 2012-05-16T19:28:46Z 1713 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F chloroform ClC(Cl)Cl 1.397 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=chloroform ClC(Cl)(Cl)C(Cl)(Cl)Cl.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1714 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl chloroform C(Cl)(Cl)Cl 2.233 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=chloroform O=C(O)C(c1ccc(cc1)CC(C)C)C.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1715 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C chloroform C(Cl)(Cl)Cl 2.651 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=chloroform O=C(O)C(O)c1ccccc1.ClC(Cl)Cl 2012-05-16T19:28:46Z 1716 mandelic acid O=C(O)C(O)c1ccccc1 chloroform ClC(Cl)Cl 0.100 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=mandelic+acid&solvent=chloroform O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.ClC(Cl)Cl 2012-05-16T19:28:46Z 1717 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C chloroform ClC(Cl)Cl 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=chloroform Clc1ccc(NC(=O)N(C)C)cc1.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1718 monuron Clc1ccc(NC(=O)N(C)C)cc1 chloroform C(Cl)(Cl)Cl 0.151 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=chloroform C1(=CC=CC=C1)N(O)C(C2=CC(=C(C=C2)C)[N+](=O)[O-])=O.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1719 N-phenyl-4-methyl-3-nitrobenzohydroxamic acid C1(=CC=CC=C1)N(O)C(C2=CC(=C(C=C2)C)[N+](=O)[O-])=O chloroform C(Cl)(Cl)Cl 1.409 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenyl-4-methyl-3-nitrobenzohydroxamic+acid&solvent=chloroform [O-][N+](=O)c2ccc(C(=O)N(O)c1ccccc1)cc2.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1720 N-phenyl-4-nitrobenzohydroxamic acid [O-][N+](=O)c2ccc(C(=O)N(O)c1ccccc1)cc2 chloroform C(Cl)(Cl)Cl 1.377 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenyl-4-nitrobenzohydroxamic+acid&solvent=chloroform O=C(N(O)c1ccccc1)c2ccccc2.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1721 N-phenylbenzohydroxamic acid O=C(N(O)c1ccccc1)c2ccccc2 chloroform C(Cl)(Cl)Cl 1.400 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenylbenzohydroxamic+acid&solvent=chloroform c1ccc2ccccc2c1.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1722 naphthalene c1ccc2ccccc2c1 chloroform C(Cl)(Cl)Cl 3.514 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=chloroform O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1723 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C chloroform C(Cl)(Cl)Cl 0.327 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=chloroform FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1724 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O chloroform C(Cl)(Cl)Cl 0.016 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=chloroform O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC.ClC(Cl)Cl 2012-05-16T19:28:46Z 1725 norfloxacin O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC chloroform ClC(Cl)Cl 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=norfloxacin&solvent=chloroform Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.ClC(Cl)Cl 2012-05-16T19:28:46Z 1726 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F chloroform ClC(Cl)Cl 2.626 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=chloroform Fc4cc1c2N(/C=C(\C1=O)C(=O)O)C(COc2c4N3CCN(C)CC3)C.ClC(Cl)Cl 2012-05-16T19:28:46Z 1727 ofloxacin Fc4cc1c2N(/C=C(\C1=O)C(=O)O)C(COc2c4N3CCN(C)CC3)C chloroform ClC(Cl)Cl 0.051 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ofloxacin&solvent=chloroform O=S(=O)(c1ccc(cc1)C)C[N+]#[C-].ClC(Cl)Cl 2012-05-16T19:28:46Z 1728 p-toluenesulfonylmethyl isocyanide O=S(=O)(c1ccc(cc1)C)C[N+]#[C-] chloroform ClC(Cl)Cl 0.210 isonitrile n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-toluenesulfonylmethyl+isocyanide&solvent=chloroform O=C(Nc1ccc(OCC)cc1)C.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1729 phenacetin O=C(Nc1ccc(OCC)cc1)C chloroform C(Cl)(Cl)Cl 0.434 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=chloroform O=Cc2cc3c(c1c2cccc1)cccc3.ClC(Cl)Cl 2012-05-16T19:28:46Z 1730 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 chloroform ClC(Cl)Cl 0.040 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=chloroform O=C(O)Cc1ccccc1.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1731 phenylacetic acid O=C(O)Cc1ccccc1 chloroform C(Cl)(Cl)Cl 3.856 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=chloroform O=C(O)c1ccccc1C(=O)O.ClC(Cl)Cl 2012-05-16T19:28:46Z 1732 phthalic acid O=C(O)c1ccccc1C(=O)O chloroform ClC(Cl)Cl 0.510 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phthalic+acid&solvent=chloroform O=Cc1ccc2OCOc2c1.ClC(Cl)Cl 2012-05-16T19:28:46Z 1733 piperonal O=Cc1ccc2OCOc2c1 chloroform ClC(Cl)Cl 7.950 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=piperonal&solvent=chloroform O=C(c1cc(Cl)c(Cl)n1)c2c(O)cccc2O.ClC(Cl)Cl 2012-05-16T19:28:46Z 1734 pyoluteorin O=C(c1cc(Cl)c(Cl)n1)c2c(O)cccc2O chloroform ClC(Cl)Cl 0.094 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyoluteorin&solvent=chloroform Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H](/C=C/C=C(/C(=O)NC(=C2O)/C(=C\NN5CCN(CC5)C6CCCC6)/C3=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O.ClC(Cl)Cl 2012-05-16T19:28:46Z 1735 rifapentine Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H](/C=C/C=C(/C(=O)NC(=C2O)/C(=C\NN5CCN(CC5)C6CCCC6)/C3=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O chloroform ClC(Cl)Cl 0.298 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=rifapentine&solvent=chloroform O=C(O)c1ccccc1O.ClC(Cl)Cl 2012-05-16T19:28:46Z 1736 salicylic acid O=C(O)c1ccccc1O chloroform ClC(Cl)Cl 0.160 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=chloroform O=S(=O)(Nc1ncccn1)c2ccc(N)cc2.C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 1737 sulfadiazine O=S(=O)(Nc1ncccn1)c2ccc(N)cc2 chloroform C(Cl)(Cl)Cl 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfadiazine&solvent=chloroform O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.ClC(Cl)Cl 2012-05-16T19:28:46Z 1738 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 chloroform ClC(Cl)Cl 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=chloroform O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C.ClC(Cl)Cl 2012-05-16T19:28:46Z 1739 tenoxicam O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C chloroform ClC(Cl)Cl 0.054 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tenoxicam&solvent=chloroform O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C.ClC(Cl)Cl 2012-05-16T19:28:46Z 1740 Ugi product 206B(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C chloroform ClC(Cl)Cl 0.567 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+206B(UC)&solvent=chloroform O=C(O)[C@@H](N(C(=O)CCCC)Cc3ccc(c1ccccc1c2nnnn2)cc3)C(C)C.ClC(Cl)Cl 2012-05-16T19:28:46Z 1741 valsartan O=C(O)[C@@H](N(C(=O)CCCC)Cc3ccc(c1ccccc1c2nnnn2)cc3)C(C)C chloroform ClC(Cl)Cl 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=valsartan&solvent=chloroform COc1cc(ccc1OC)C=O.ClC(Cl)Cl 2012-05-16T19:28:46Z 1742 veratraldehyde COc1cc(ccc1OC)C=O chloroform ClC(Cl)Cl 5.700 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=veratraldehyde&solvent=chloroform c1ccc(cc1)c2ccccc2.C[C@@H]1CCCC[C@@H]1C 2012-05-16T19:28:46Z 1743 biphenyl c1ccc(cc1)c2ccccc2 cis-1,2-dimethylcyclohexane C[C@@H]1CCCC[C@@H]1C 1.318 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=cis-1,2-dimethylcyclohexane Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.C[C@@H]1CCCC[C@@H]1C 2012-05-16T19:28:46Z 1744 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F cis-1,2-dimethylcyclohexane C[C@@H]1CCCC[C@@H]1C 0.737 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=cis-1,2-dimethylcyclohexane ClC(Cl)(Cl)C(Cl)(Cl)Cl.C[C@@H]1CCCC[C@@H]1C 2012-05-16T19:28:46Z 1745 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl cis-1,2-dimethylcyclohexane C[C@@H]1CCCC[C@@H]1C 1.279 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=cis-1,2-dimethylcyclohexane c1ccc2ccccc2c1.C[C@@H]1CCCC[C@@H]1C 2012-05-16T19:28:46Z 1746 naphthalene c1ccc2ccccc2c1 cis-1,2-dimethylcyclohexane C[C@@H]1CCCC[C@@H]1C 1.143 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=cis-1,2-dimethylcyclohexane Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.C[C@@H]1CCCC[C@@H]1C 2012-05-16T19:28:46Z 1747 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F cis-1,2-dimethylcyclohexane C[C@@H]1CCCC[C@@H]1C 0.476 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=cis-1,2-dimethylcyclohexane c1ccc(cc1)c2ccccc2.C[C@H]1CCC[C@@H](C)C1 2012-05-16T19:28:46Z 1748 biphenyl c1ccc(cc1)c2ccccc2 cis-1,3-dimethylcyclohexane C[C@H]1CCC[C@@H](C)C1 1.164 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=cis-1,3-dimethylcyclohexane Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.C[C@H]1CCC[C@@H](C)C1 2012-05-16T19:28:46Z 1749 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F cis-1,3-dimethylcyclohexane C[C@H]1CCC[C@@H](C)C1 0.888 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=cis-1,3-dimethylcyclohexane ClC(Cl)(Cl)C(Cl)(Cl)Cl.C[C@H]1CCC[C@@H](C)C1 2012-05-16T19:28:46Z 1750 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl cis-1,3-dimethylcyclohexane C[C@H]1CCC[C@@H](C)C1 1.201 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=cis-1,3-dimethylcyclohexane c1ccc2ccccc2c1.C[C@H]1CCC[C@@H](C)C1 2012-05-16T19:28:46Z 1751 naphthalene c1ccc2ccccc2c1 cis-1,3-dimethylcyclohexane C[C@H]1CCC[C@@H](C)C1 1.085 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=cis-1,3-dimethylcyclohexane Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.C[C@H]1CCC[C@@H](C)C1 2012-05-16T19:28:46Z 1752 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F cis-1,3-dimethylcyclohexane C[C@H]1CCC[C@@H](C)C1 0.692 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=cis-1,3-dimethylcyclohexane c1ccc(cc1)c2ccccc2.C[C@@H]1CC[C@H](C)CC1 2012-05-16T19:28:46Z 1753 biphenyl c1ccc(cc1)c2ccccc2 cis-1,4-dimethylcyclohexane C[C@@H]1CC[C@H](C)CC1 1.231 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=cis-1,4-dimethylcyclohexane Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.C[C@@H]1CC[C@H](C)CC1 2012-05-16T19:28:46Z 1754 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F cis-1,4-dimethylcyclohexane C[C@@H]1CC[C@H](C)CC1 0.794 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=cis-1,4-dimethylcyclohexane ClC(Cl)(Cl)C(Cl)(Cl)Cl.C[C@@H]1CC[C@H](C)CC1 2012-05-16T19:28:46Z 1755 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl cis-1,4-dimethylcyclohexane C[C@@H]1CC[C@H](C)CC1 1.258 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=cis-1,4-dimethylcyclohexane c1ccc2ccccc2c1.C[C@@H]1CC[C@H](C)CC1 2012-05-16T19:28:46Z 1756 naphthalene c1ccc2ccccc2c1 cis-1,4-dimethylcyclohexane C[C@@H]1CC[C@H](C)CC1 1.071 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=cis-1,4-dimethylcyclohexane Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.C[C@@H]1CC[C@H](C)CC1 2012-05-16T19:28:46Z 1757 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F cis-1,4-dimethylcyclohexane C[C@@H]1CC[C@H](C)CC1 0.541 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=cis-1,4-dimethylcyclohexane [O-][N+](=O)c2cccc1ccccc12.C1CCCCC1 2012-05-16T19:28:46Z 1758 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 cyclohexane C1CCCCC1 0.234 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=cyclohexane Brc1ccc(Br)cc1.C1CCCCC1 2012-05-16T19:28:46Z 1759 1,4-dibromobenzene Brc1ccc(Br)cc1 cyclohexane C1CCCCC1 1.043 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=cyclohexane O=C(/C1=C/C[C@@H]2[C@@]1(CC[C@@H]3[C@@]4(C(=C/C[C@@H]23)\C[C@@H](O)CC4)C)C)C.C1CCCCC1 2012-05-16T19:28:46Z 1760 16-dehydropregnenolone O=C(/C1=C/C[C@@H]2[C@@]1(CC[C@@H]3[C@@]4(C(=C/C[C@@H]23)\C[C@@H](O)CC4)C)C)C cyclohexane C1CCCCC1 0.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=16-dehydropregnenolone&solvent=cyclohexane O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.C1CCCCC1 2012-05-16T19:28:46Z 1761 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC cyclohexane C1CCCCC1 0.037 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=cyclohexane O=C(O)c1cc(ccc1)C.C1CCCCC1 2012-05-16T19:28:46Z 1762 3-methylbenzoic acid O=C(O)c1cc(ccc1)C cyclohexane C1CCCCC1 0.119 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=cyclohexane O=C(O)c1ccc(N)cc1.C1CCCCC1 2012-05-16T19:28:46Z 1763 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 cyclohexane C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=cyclohexane c1cc(C=O)ccc1[N+](=O)[O-].C1CCCCC1 2012-05-16T19:28:46Z 1764 4-nitrobenzaldehyde c1cc(C=O)ccc1[N+](=O)[O-] cyclohexane C1CCCCC1 0.009 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzaldehyde&solvent=cyclohexane c1c[n+](ccc1[N+](=O)[O-])[O-].C1CCCCC1 2012-05-16T19:28:46Z 1765 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] cyclohexane C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=cyclohexane O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3.C1CCCCC1 2012-05-16T19:28:46Z 1766 4-pyrenebutanoic acid O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3 cyclohexane C1CCCCC1 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-pyrenebutanoic+acid&solvent=cyclohexane O=C3c1ccccc1c2c3cccc2.C1CCCCC1 2012-05-16T19:28:46Z 1767 9-fluorenone O=C3c1ccccc1c2c3cccc2 cyclohexane C1CCCCC1 0.150 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=cyclohexane c1cc2cccc3c2c(c1)CC3.C1CCCCC1 2012-05-16T19:28:46Z 1768 acenaphthene c1cc2cccc3c2c(c1)CC3 cyclohexane C1CCCCC1 0.636 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=cyclohexane O=C(Nc1ccc(O)cc1)C.C1CCCCC1 2012-05-16T19:28:46Z 1769 acetaminophen O=C(Nc1ccc(O)cc1)C cyclohexane C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=cyclohexane O=C(Nc1ccccc1)C.C1CCCCC1 2012-05-16T19:28:46Z 1770 acetanilide O=C(Nc1ccccc1)C cyclohexane C1CCCCC1 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=cyclohexane c1ccc2cc3ccccc3cc2c1.C1CCCCC1 2012-05-16T19:28:46Z 1771 anthracene c1ccc2cc3ccccc3cc2c1 cyclohexane C1CCCCC1 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=cyclohexane O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C.C1CCCCC1 2012-05-16T19:28:46Z 1772 artemisinin O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C cyclohexane C1CCCCC1 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=artemisinin&solvent=cyclohexane c1ccc(cc1)C(=O)C(=O)c2ccccc2.C1CCCCC1 2012-05-16T19:28:46Z 1773 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 cyclohexane C1CCCCC1 0.098 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=cyclohexane c1ccc2c(c1)[nH]cn2.C1CCCCC1 2012-05-16T19:28:46Z 1774 benzimidazole c1ccc2c(c1)[nH]cn2 cyclohexane C1CCCCC1 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=cyclohexane O=C(OCC)c1ccc(N)cc1.C1CCCCC1 2012-05-16T19:28:46Z 1775 benzocaine O=C(OCC)c1ccc(N)cc1 cyclohexane C1CCCCC1 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=cyclohexane O=C(O)c1ccccc1.C1CCCCC1 2012-05-16T19:28:46Z 1776 benzoic acid O=C(O)c1ccccc1 cyclohexane C1CCCCC1 0.100 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=cyclohexane C1=CC(=O)C=CC1=O.C1CCCCC1 2012-05-16T19:28:46Z 1777 benzoquinone C1=CC(=O)C=CC1=O cyclohexane C1CCCCC1 0.061 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoquinone&solvent=cyclohexane c1ccc(cc1)c2ccccc2.C1CCCCC1 2012-05-16T19:28:46Z 1778 biphenyl c1ccc(cc1)c2ccccc2 cyclohexane C1CCCCC1 1.645 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=cyclohexane c1ccc2c(c1)c3ccccc3[nH]2.C1CCCCC1 2012-05-16T19:28:46Z 1779 carbazole c1ccc2c(c1)c3ccccc3[nH]2 cyclohexane C1CCCCC1 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbazole&solvent=cyclohexane O=C2c1ccccc1C(=O)c3c2cccc3Cl.C1CCCCC1 2012-05-16T19:28:46Z 1780 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl cyclohexane C1CCCCC1 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=cyclohexane O=C(O)C=Cc1ccccc1.C1CCCCC1 2012-05-16T19:28:46Z 1781 cinnamic acid O=C(O)C=Cc1ccccc1 cyclohexane C1CCCCC1 0.029 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=cyclohexane Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.C1CCCCC1 2012-05-16T19:28:46Z 1782 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F cyclohexane C1CCCCC1 0.803 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=cyclohexane O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.C1CCCCC1 2012-05-16T19:28:46Z 1783 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 cyclohexane C1CCCCC1 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=cyclohexane O=S(=O)(c1ccccc1)c2ccccc2.C1CCCCC1 2012-05-16T19:28:46Z 1784 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 cyclohexane C1CCCCC1 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=cyclohexane Clc1ccc(NC(=O)N(C)C)cc1Cl.C1CCCCC1 2012-05-16T19:28:46Z 1785 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl cyclohexane C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=cyclohexane c1c(c(cc(c1C)C)C)C.C1CCCCC1 2012-05-16T19:28:46Z 1786 durene c1c(c(cc(c1C)C)C)C cyclohexane C1CCCCC1 1.762 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=cyclohexane O=C(OCC)c1ccc(N)cc1.C1CCCCC1 2012-05-16T19:28:46Z 1787 ethyl 4-aminobenzoate O=C(OCC)c1ccc(N)cc1 cyclohexane C1CCCCC1 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethyl+4-aminobenzoate&solvent=cyclohexane c1ccc-2c(c1)-c3cccc4c3c2ccc4.C1CCCCC1 2012-05-16T19:28:46Z 1788 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 cyclohexane C1CCCCC1 0.165 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=cyclohexane c1ccc-2c(c1)Cc3c2cccc3.C1CCCCC1 2012-05-16T19:28:46Z 1789 fluorene c1ccc-2c(c1)Cc3c2cccc3 cyclohexane C1CCCCC1 0.349 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=cyclohexane c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.C1CCCCC1 2012-05-16T19:28:46Z 1790 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl cyclohexane C1CCCCC1 0.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=cyclohexane ClC(Cl)(Cl)C(Cl)(Cl)Cl.C1CCCCC1 2012-05-16T19:28:46Z 1791 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl cyclohexane C1CCCCC1 1.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=cyclohexane O=C(O)C(c1ccc(cc1)CC(C)C)C.C1CCCCC1 2012-05-16T19:28:46Z 1792 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C cyclohexane C1CCCCC1 1.098 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=cyclohexane O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.C1CCCCC1 2012-05-16T19:28:46Z 1793 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C cyclohexane C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=cyclohexane Clc1ccc(NC(=O)N(C)C)cc1.C1CCCCC1 2012-05-16T19:28:46Z 1794 monuron Clc1ccc(NC(=O)N(C)C)cc1 cyclohexane C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=cyclohexane c1ccc2ccccc2c1.C1CCCCC1 2012-05-16T19:28:46Z 1795 naphthalene c1ccc2ccccc2c1 cyclohexane C1CCCCC1 1.358 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=cyclohexane O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.C1CCCCC1 2012-05-16T19:28:46Z 1796 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C cyclohexane C1CCCCC1 0.001 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=cyclohexane FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.C1CCCCC1 2012-05-16T19:28:46Z 1797 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O cyclohexane C1CCCCC1 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=cyclohexane Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.C1CCCCC1 2012-05-16T19:28:46Z 1798 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F cyclohexane C1CCCCC1 0.407 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=cyclohexane O=C(Nc1ccc(OCC)cc1)C.C1CCCCC1 2012-05-16T19:28:46Z 1799 phenacetin O=C(Nc1ccc(OCC)cc1)C cyclohexane C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=cyclohexane c1ccc2c(c1)ccc3c2cccc3.C1CCCCC1 2012-05-16T19:28:46Z 1800 phenanthrene c1ccc2c(c1)ccc3c2cccc3 cyclohexane C1CCCCC1 0.330 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=cyclohexane O=Cc2cc3c(c1c2cccc1)cccc3.C1CCCCC1 2012-05-16T19:28:46Z 1801 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 cyclohexane C1CCCCC1 0.070 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=cyclohexane c1ccc(cc1)O.C1CCCCC1 2012-05-16T19:28:46Z 1802 phenol c1ccc(cc1)O cyclohexane C1CCCCC1 4.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenol&solvent=cyclohexane c1ccc2c(c1)Nc3ccccc3S2.C1CCCCC1 2012-05-16T19:28:46Z 1803 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 cyclohexane C1CCCCC1 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=cyclohexane O=C(O)Cc1ccccc1.C1CCCCC1 2012-05-16T19:28:46Z 1804 phenylacetic acid O=C(O)Cc1ccccc1 cyclohexane C1CCCCC1 0.232 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=cyclohexane Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5.C1CCCCC1 2012-05-16T19:28:46Z 1805 pimozide Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5 cyclohexane C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimozide&solvent=cyclohexane c1cc2ccc3cccc4c3c2c(c1)cc4.C1CCCCC1 2012-05-16T19:28:46Z 1806 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 cyclohexane C1CCCCC1 0.100 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=cyclohexane O=C(O)c1ccccc1O.C1CCCCC1 2012-05-16T19:28:46Z 1807 salicylic acid O=C(O)c1ccccc1O cyclohexane C1CCCCC1 0.005 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=cyclohexane O=S(=O)(c1ccc(N)cc1)NC(=O)C.C1CCCCC1 2012-05-16T19:28:46Z 1808 sulfacetamide O=S(=O)(c1ccc(N)cc1)NC(=O)C cyclohexane C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfacetamide&solvent=cyclohexane O=S(=O)(Nc1ncccn1)c2ccc(N)cc2.C1CCCCC1 2012-05-16T19:28:46Z 1809 sulfadiazine O=S(=O)(Nc1ncccn1)c2ccc(N)cc2 cyclohexane C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfadiazine&solvent=cyclohexane O=S(=O)(Nc1nc(ccn1)C)c2ccc(N)cc2.C1CCCCC1 2012-05-16T19:28:46Z 1810 sulfamerazine O=S(=O)(Nc1nc(ccn1)C)c2ccc(N)cc2 cyclohexane C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamerazine&solvent=cyclohexane O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(N)cc2.C1CCCCC1 2012-05-16T19:28:46Z 1811 sulfamethazine O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(N)cc2 cyclohexane C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethazine&solvent=cyclohexane O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2.C1CCCCC1 2012-05-16T19:28:46Z 1812 sulfamethoxazole O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2 cyclohexane C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxazole&solvent=cyclohexane O=S(=O)(c1ccc(N)cc1)N.C1CCCCC1 2012-05-16T19:28:46Z 1813 sulfanilamide O=S(=O)(c1ccc(N)cc1)N cyclohexane C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfanilamide&solvent=cyclohexane O=S(=O)(Nc1ncccc1)c2ccc(N)cc2.C1CCCCC1 2012-05-16T19:28:46Z 1814 sulfapyridine O=S(=O)(Nc1ncccc1)c2ccc(N)cc2 cyclohexane C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfapyridine&solvent=cyclohexane O=S(=O)(Nc1nccs1)c2ccc(N)cc2.C1CCCCC1 2012-05-16T19:28:46Z 1815 sulfathiazole O=S(=O)(Nc1nccs1)c2ccc(N)cc2 cyclohexane C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfathiazole&solvent=cyclohexane S1c3c(Sc2c1cccc2)cccc3.C1CCCCC1 2012-05-16T19:28:46Z 1816 thianthrene S1c3c(Sc2c1cccc2)cccc3 cyclohexane C1CCCCC1 0.055 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=cyclohexane O=C1c3c(Sc2c1cccc2)cccc3.C1CCCCC1 2012-05-16T19:28:46Z 1817 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 cyclohexane C1CCCCC1 0.004 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=cyclohexane c1ccc(cc1)/C=C/c2ccccc2.C1CCCCC1 2012-05-16T19:28:46Z 1818 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 cyclohexane C1CCCCC1 0.128 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=cyclohexane Clc2ccc(OC(C(=O)C(C)(C)C)n1ncnc1)cc2.C1CCCCC1 2012-05-16T19:28:46Z 1819 triadimefon Clc2ccc(OC(C(=O)C(C)(C)C)n1ncnc1)cc2 cyclohexane C1CCCCC1 0.036 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triadimefon&solvent=cyclohexane O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C.C1CCCCC1 2012-05-16T19:28:46Z 1820 Ugi product 206B(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C cyclohexane C1CCCCC1 0.000 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+206B(UC)&solvent=cyclohexane O2c1ccccc1Cc3c2cccc3.C1CCCCC1 2012-05-16T19:28:46Z 1821 xanthene O2c1ccccc1Cc3c2cccc3 cyclohexane C1CCCCC1 0.390 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=cyclohexane O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.C1CCC(CC1)O 2012-05-16T19:28:46Z 1822 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 cyclohexanol C1CCC(CC1)O 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=cyclohexanol CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-].C1CCC(=O)CC1 2012-05-16T19:28:46Z 1823 2,3-dimethyl-2,3-dinitrobutane CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-] cyclohexanone C1CCC(=O)CC1 0.069 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-dimethyl-2,3-dinitrobutane&solvent=cyclohexanone C(CCC(=O)O)CC(=O)O.C1CCC(=O)CC1 2012-05-16T19:28:46Z 1824 adipic acid C(CCC(=O)O)CC(=O)O cyclohexanone C1CCC(=O)CC1 0.142 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adipic+acid&solvent=cyclohexanone c1ccc(cc1)C(=O)C(=O)c2ccccc2.C1CCC(=O)CC1 2012-05-16T19:28:46Z 1825 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 cyclohexanone C1CCC(=O)CC1 1.982 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=cyclohexanone O=C2c1ccccc1C(=O)c3c2cccc3Cl.O=C1CCCCC1 2012-05-16T19:28:46Z 1826 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl cyclohexanone O=C1CCCCC1 0.132 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=cyclohexanone O=C(O)C=Cc1ccccc1.C1(CCCCC1)=O 2012-05-16T19:28:46Z 1827 cinnamic acid O=C(O)C=Cc1ccccc1 cyclohexanone C1(CCCCC1)=O 1.437 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=cyclohexanone Fc1cc(cc(F)c1Br)N2C(=O)C=CC2=O.C1CCC(=O)CC1 2012-05-16T19:28:46Z 1828 N-[(4-bromo-3,5-difluoro)phenyl]maleimide Fc1cc(cc(F)c1Br)N2C(=O)C=CC2=O cyclohexanone C1CCC(=O)CC1 0.170 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-[(4-bromo-3,5-difluoro)phenyl]maleimide&solvent=cyclohexanone c1ccc2c(c1)ccc3c2cccc3.O=C1CCCCC1 2012-05-16T19:28:46Z 1829 phenanthrene c1ccc2c(c1)ccc3c2cccc3 cyclohexanone O=C1CCCCC1 2.306 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=cyclohexanone c1ccc(c(c1)C(=O)O)C(=O)O.O=C1CCCCC1 2012-05-16T19:28:46Z 1830 phthalic acid c1ccc(c(c1)C(=O)O)C(=O)O cyclohexanone O=C1CCCCC1 0.188 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phthalic+acid&solvent=cyclohexanone c1cc2ccc3cccc4c3c2c(c1)cc4.C1CCC(=O)CC1 2012-05-16T19:28:46Z 1831 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 cyclohexanone C1CCC(=O)CC1 1.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=cyclohexanone O=C(O)c1ccccc1O.O=C1CCCCC1 2012-05-16T19:28:46Z 1832 salicylic acid O=C(O)c1ccccc1O cyclohexanone O=C1CCCCC1 2.247 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=cyclohexanone O=C1c3c(Sc2c1cccc2)cccc3.O=C1CCCCC1 2012-05-16T19:28:46Z 1833 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 cyclohexanone O=C1CCCCC1 0.080 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=cyclohexanone [O-][N+](=O)c2cccc1ccccc12.C1CCCCCCC1 2012-05-16T19:28:46Z 1834 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 cyclooctane C1CCCCCCC1 0.255 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=cyclooctane c1c[n+](ccc1[N+](=O)[O-])[O-].C1CCCCCCC1 2012-05-16T19:28:46Z 1835 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] cyclooctane C1CCCCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=cyclooctane O=C3c1ccccc1c2c3cccc2.C1CCCCCCC1 2012-05-16T19:28:46Z 1836 9-fluorenone O=C3c1ccccc1c2c3cccc2 cyclooctane C1CCCCCCC1 0.170 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=cyclooctane c1cc2cccc3c2c(c1)CC3.C1CCCCCCC1 2012-05-16T19:28:46Z 1837 acenaphthene c1cc2cccc3c2c(c1)CC3 cyclooctane C1CCCCCCC1 0.690 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=cyclooctane c1ccc(cc1)C(=O)C(=O)c2ccccc2.C1CCCCCCC1 2012-05-16T19:28:46Z 1838 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 cyclooctane C1CCCCCCC1 0.104 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=cyclooctane C1=CC(=O)C=CC1=O.C1CCCCCCC1 2012-05-16T19:28:46Z 1839 benzoquinone C1=CC(=O)C=CC1=O cyclooctane C1CCCCCCC1 0.059 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoquinone&solvent=cyclooctane c1ccc(cc1)c2ccccc2.C1CCCCCCC1 2012-05-16T19:28:46Z 1840 biphenyl c1ccc(cc1)c2ccccc2 cyclooctane C1CCCCCCC1 1.518 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=cyclooctane c1ccc2c(c1)c3ccccc3[nH]2.C1CCCCCCC1 2012-05-16T19:28:46Z 1841 carbazole c1ccc2c(c1)c3ccccc3[nH]2 cyclooctane C1CCCCCCC1 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbazole&solvent=cyclooctane O=S(=O)(c1ccccc1)c2ccccc2.C1CCCCCCC1 2012-05-16T19:28:46Z 1842 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 cyclooctane C1CCCCCCC1 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=cyclooctane Clc1ccc(NC(=O)N(C)C)cc1Cl.C1CCCCCCC1 2012-05-16T19:28:46Z 1843 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl cyclooctane C1CCCCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=cyclooctane c1ccc-2c(c1)-c3cccc4c3c2ccc4.C1CCCCCCC1 2012-05-16T19:28:46Z 1844 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 cyclooctane C1CCCCCCC1 0.212 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=cyclooctane c1ccc-2c(c1)Cc3c2cccc3.C1CCCCCCC1 2012-05-16T19:28:46Z 1845 fluorene c1ccc-2c(c1)Cc3c2cccc3 cyclooctane C1CCCCCCC1 0.350 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=cyclooctane c1ccc2c(c1)ccc3c2cccc3.C1CCCCCCC1 2012-05-16T19:28:46Z 1846 phenanthrene c1ccc2c(c1)ccc3c2cccc3 cyclooctane C1CCCCCCC1 0.421 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=cyclooctane c1ccc2c(c1)Nc3ccccc3S2.C1CCCCCCC1 2012-05-16T19:28:46Z 1847 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 cyclooctane C1CCCCCCC1 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=cyclooctane S1c3c(Sc2c1cccc2)cccc3.C1CCCCCCC1 2012-05-16T19:28:46Z 1848 thianthrene S1c3c(Sc2c1cccc2)cccc3 cyclooctane C1CCCCCCC1 0.087 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=cyclooctane O=C1c3c(Sc2c1cccc2)cccc3.C1CCCCCCC1 2012-05-16T19:28:46Z 1849 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 cyclooctane C1CCCCCCC1 0.010 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=cyclooctane c1ccc(cc1)/C=C/c2ccccc2.C1CCCCCCC1 2012-05-16T19:28:46Z 1850 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 cyclooctane C1CCCCCCC1 0.146 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=cyclooctane O2c1ccccc1Cc3c2cccc3.C1CCCCCCC1 2012-05-16T19:28:46Z 1851 xanthene O2c1ccccc1Cc3c2cccc3 cyclooctane C1CCCCCCC1 0.380 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=cyclooctane O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3.C1CCCC1 2012-05-16T19:28:46Z 1852 4-pyrenebutanoic acid O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3 cyclopentane C1CCCC1 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-pyrenebutanoic+acid&solvent=cyclopentane O=Cc2cc3c(c1c2cccc1)cccc3.C1CCCC1 2012-05-16T19:28:46Z 1853 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 cyclopentane C1CCCC1 0.030 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=cyclopentane O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C.C1CCCC1 2012-05-16T19:28:46Z 1854 Ugi product 206B(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C cyclopentane C1CCCC1 0.000 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+206B(UC)&solvent=cyclopentane [O-][N+](=O)c2cccc1ccccc12.C1CCC(C1)O 2012-05-16T19:28:46Z 1855 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 cyclopentanol C1CCC(C1)O 0.676 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=cyclopentanol O=C3c1ccccc1c2c3cccc2.OC1CCCC1 2012-05-16T19:28:46Z 1856 9-fluorenone O=C3c1ccccc1c2c3cccc2 cyclopentanol OC1CCCC1 0.820 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=cyclopentanol c1ccc2cc3ccccc3cc2c1.C1CCC(C1)O 2012-05-16T19:28:46Z 1857 anthracene c1ccc2cc3ccccc3cc2c1 cyclopentanol C1CCC(C1)O 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=cyclopentanol O=S(=O)(c1ccccc1)c2ccccc2.C1CCC(C1)O 2012-05-16T19:28:46Z 1858 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 cyclopentanol C1CCC(C1)O 0.109 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=cyclopentanol Clc1ccc(NC(=O)N(C)C)cc1Cl.C1CCC(C1)O 2012-05-16T19:28:46Z 1859 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl cyclopentanol C1CCC(C1)O 0.165 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=cyclopentanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.OC1CCCC1 2012-05-16T19:28:46Z 1860 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 cyclopentanol OC1CCCC1 0.204 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=cyclopentanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.C1CCC(C1)O 2012-05-16T19:28:46Z 1861 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl cyclopentanol C1CCC(C1)O 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=cyclopentanol c1ccc2c(c1)ccc3c2cccc3.C1CCC(C1)O 2012-05-16T19:28:46Z 1862 phenanthrene c1ccc2c(c1)ccc3c2cccc3 cyclopentanol C1CCC(C1)O 0.349 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=cyclopentanol c1ccc2c(c1)Nc3ccccc3S2.C1CCC(C1)O 2012-05-16T19:28:46Z 1863 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 cyclopentanol C1CCC(C1)O 0.243 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=cyclopentanol c1cc2ccc3cccc4c3c2c(c1)cc4.C1CCC(C1)O 2012-05-16T19:28:46Z 1864 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 cyclopentanol C1CCC(C1)O 0.115 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=cyclopentanol S1c3c(Sc2c1cccc2)cccc3.OC1CCCC1 2012-05-16T19:28:46Z 1865 thianthrene S1c3c(Sc2c1cccc2)cccc3 cyclopentanol OC1CCCC1 0.047 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=cyclopentanol O=C1c3c(Sc2c1cccc2)cccc3.OC1CCCC1 2012-05-16T19:28:46Z 1866 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 cyclopentanol OC1CCCC1 0.027 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=cyclopentanol O2c1ccccc1Cc3c2cccc3.OC1CCCC1 2012-05-16T19:28:46Z 1867 xanthene O2c1ccccc1Cc3c2cccc3 cyclopentanol OC1CCCC1 0.330 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=cyclopentanol [O-][N+](=O)c2cccc1ccccc12.CCCCCCCCCC 2012-05-16T19:28:46Z 1868 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 decane CCCCCCCCCC 0.143 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=decane O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.C(CCCCCCCC)C 2012-05-16T19:28:46Z 1869 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC decane C(CCCCCCCC)C 0.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=decane c1c[n+](ccc1[N+](=O)[O-])[O-].C(CCCCCCCC)C 2012-05-16T19:28:46Z 1870 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] decane C(CCCCCCCC)C 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=decane O=C3c1ccccc1c2c3cccc2.C(CCCCCCCC)C 2012-05-16T19:28:46Z 1871 9-fluorenone O=C3c1ccccc1c2c3cccc2 decane C(CCCCCCCC)C 0.120 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=decane c1cc2cccc3c2c(c1)CC3.CCCCCCCCCC 2012-05-16T19:28:46Z 1872 acenaphthene c1cc2cccc3c2c(c1)CC3 decane CCCCCCCCCC 0.410 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=decane c1ccc2cc3ccccc3cc2c1.C(CCCCCCCC)C 2012-05-16T19:28:46Z 1873 anthracene c1ccc2cc3ccccc3cc2c1 decane C(CCCCCCCC)C 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=decane c1ccc(cc1)C(=O)C(=O)c2ccccc2.CCCCCCCCCC 2012-05-16T19:28:46Z 1874 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 decane CCCCCCCCCC 0.044 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=decane O=C(O)c1ccccc1.C(CCCCCCCC)C 2012-05-16T19:28:46Z 1875 benzoic acid O=C(O)c1ccccc1 decane C(CCCCCCCC)C 0.080 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=decane O=C(c1ccccc1)c2ccccc2.CCCCCCCCCC 2012-05-16T19:28:46Z 1876 benzophenone O=C(c1ccccc1)c2ccccc2 decane CCCCCCCCCC 0.251 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzophenone&solvent=decane c1ccc(cc1)c2ccccc2.CCCCCCCCCC 2012-05-16T19:28:46Z 1877 biphenyl c1ccc(cc1)c2ccccc2 decane CCCCCCCCCC 0.875 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=decane O=C2c1ccccc1C(=O)c3c2cccc3Cl.CCCCCCCCCC 2012-05-16T19:28:46Z 1878 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl decane CCCCCCCCCC 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=decane O=S(=O)(c1ccccc1)c2ccccc2.CCCCCCCCCC 2012-05-16T19:28:46Z 1879 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 decane CCCCCCCCCC 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=decane Clc1ccc(NC(=O)N(C)C)cc1Cl.CCCCCCCCCC 2012-05-16T19:28:46Z 1880 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl decane CCCCCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=decane c1c(c(cc(c1C)C)C)C.CCCCCCCCCC 2012-05-16T19:28:46Z 1881 durene c1c(c(cc(c1C)C)C)C decane CCCCCCCCCC 1.208 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=decane c1ccc-2c(c1)-c3cccc4c3c2ccc4.CCCCCCCCCC 2012-05-16T19:28:46Z 1882 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 decane CCCCCCCCCC 0.155 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=decane c1ccc-2c(c1)Cc3c2cccc3.CCCCCCCCCC 2012-05-16T19:28:46Z 1883 fluorene c1ccc-2c(c1)Cc3c2cccc3 decane CCCCCCCCCC 0.244 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=decane c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.C(CCCCCCCC)C 2012-05-16T19:28:46Z 1884 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl decane C(CCCCCCCC)C 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=decane COC(=O)c1ccc(cc1)O.C(CCCCCCCC)C 2012-05-16T19:28:46Z 1885 methylparaben COC(=O)c1ccc(cc1)O decane C(CCCCCCCC)C 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=decane Clc1ccc(NC(=O)N(C)C)cc1.CCCCCCCCCC 2012-05-16T19:28:46Z 1886 monuron Clc1ccc(NC(=O)N(C)C)cc1 decane CCCCCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=decane c1ccc2c(c1)ccc3c2cccc3.C(CCCCCCCC)C 2012-05-16T19:28:46Z 1887 phenanthrene c1ccc2c(c1)ccc3c2cccc3 decane C(CCCCCCCC)C 0.286 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=decane c1ccc2c(c1)Nc3ccccc3S2.CCCCCCCCCC 2012-05-16T19:28:46Z 1888 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 decane CCCCCCCCCC 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=decane c1cc2ccc3cccc4c3c2c(c1)cc4.CCCCCCCCCC 2012-05-16T19:28:46Z 1889 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 decane CCCCCCCCCC 0.099 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=decane O=C(O)CCCCCCCCCCCCCCCCC.CCCCCCCCCC 2012-05-16T19:28:46Z 1890 stearic acid O=C(O)CCCCCCCCCCCCCCCCC decane CCCCCCCCCC 0.018 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=stearic+acid&solvent=decane S1c3c(Sc2c1cccc2)cccc3.C(CCCCCCCC)C 2012-05-16T19:28:46Z 1891 thianthrene S1c3c(Sc2c1cccc2)cccc3 decane C(CCCCCCCC)C 0.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=decane O=C1c3c(Sc2c1cccc2)cccc3.C(CCCCCCCC)C 2012-05-16T19:28:46Z 1892 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 decane C(CCCCCCCC)C 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=decane c1ccc(cc1)/C=C/c2ccccc2.CCCCCCCCCC 2012-05-16T19:28:46Z 1893 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 decane CCCCCCCCCC 0.078 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=decane O2c1ccccc1Cc3c2cccc3.C(CCCCCCCC)C 2012-05-16T19:28:46Z 1894 xanthene O2c1ccccc1Cc3c2cccc3 decane C(CCCCCCCC)C 0.240 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=decane [O-][N+](=O)c2cccc1ccccc12.O(CCCC)CCCC 2012-05-16T19:28:46Z 1895 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 dibutyl ether O(CCCC)CCCC 0.608 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=dibutyl+ether Brc1ccc(Br)cc1.O(CCCC)CCCC 2012-05-16T19:28:46Z 1896 1,4-dibromobenzene Brc1ccc(Br)cc1 dibutyl ether O(CCCC)CCCC 1.102 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=dibutyl+ether O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.O(CCCC)CCCC 2012-05-16T19:28:46Z 1897 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O dibutyl ether O(CCCC)CCCC 0.100 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=dibutyl+ether O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.O(CCCC)CCCC 2012-05-16T19:28:46Z 1898 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC dibutyl ether O(CCCC)CCCC 0.076 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=dibutyl+ether O=C(O)c1ccccc1OC.O(CCCC)CCCC 2012-05-16T19:28:46Z 1899 2-methoxybenzoic acid O=C(O)c1ccccc1OC dibutyl ether O(CCCC)CCCC 0.040 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=dibutyl+ether O=C(O)c1ccccc1C.O(CCCC)CCCC 2012-05-16T19:28:46Z 1900 2-methylbenzoic acid O=C(O)c1ccccc1C dibutyl ether O(CCCC)CCCC 0.580 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=dibutyl+ether O=C(O)c1cc(Cl)ccc1.O(CCCC)CCCC 2012-05-16T19:28:46Z 1901 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 dibutyl ether O(CCCC)CCCC 0.230 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=dibutyl+ether O=[N+]([O-])c1cc(C(=O)O)ccc1.O(CCCC)CCCC 2012-05-16T19:28:46Z 1902 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 dibutyl ether O(CCCC)CCCC 0.210 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=dibutyl+ether O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.O(CCCC)CCCC 2012-05-16T19:28:46Z 1903 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O dibutyl ether O(CCCC)CCCC 0.035 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=dibutyl+ether O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.O(CCCC)CCCC 2012-05-16T19:28:46Z 1904 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O dibutyl ether O(CCCC)CCCC 0.050 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=dibutyl+ether O=C(O)c1ccc(Cl)cc1.O=C(O)c1ccc(Cl)cc1 2012-05-16T19:28:46Z 1905 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 dibutyl ether O=C(O)c1ccc(Cl)cc1 0.035 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=dibutyl+ether c1cc(ccc1O)I.O(CCCC)CCCC 2012-05-16T19:28:46Z 1906 4-iodophenol c1cc(ccc1O)I dibutyl ether O(CCCC)CCCC 3.390 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-iodophenol&solvent=dibutyl+ether COc1ccc(cc1)C(O)=O.O(CCCC)CCCC 2012-05-16T19:28:46Z 1907 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O dibutyl ether O(CCCC)CCCC 0.020 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=dibutyl+ether O=[N+]([O-])c1ccc(C(=O)O)cc1.O(CCCC)CCCC 2012-05-16T19:28:46Z 1908 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 dibutyl ether O(CCCC)CCCC 0.020 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=dibutyl+ether c1cc(ccc1[N+](=O)[O-])O.O(CCCC)CCCC 2012-05-16T19:28:46Z 1909 4-nitrophenol c1cc(ccc1[N+](=O)[O-])O dibutyl ether O(CCCC)CCCC 1.270 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrophenol&solvent=dibutyl+ether c1c[n+](ccc1[N+](=O)[O-])[O-].O(CCCC)CCCC 2012-05-16T19:28:46Z 1910 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] dibutyl ether O(CCCC)CCCC 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=dibutyl+ether c1ccc(cc1)c2ccc(cc2)O.O(CCCC)CCCC 2012-05-16T19:28:46Z 1911 4-phenylphenol c1ccc(cc1)c2ccc(cc2)O dibutyl ether O(CCCC)CCCC 0.210 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-phenylphenol&solvent=dibutyl+ether O=C3c1ccccc1c2c3cccc2.O(CCCC)CCCC 2012-05-16T19:28:46Z 1912 9-fluorenone O=C3c1ccccc1c2c3cccc2 dibutyl ether O(CCCC)CCCC 0.370 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=dibutyl+ether c1cc2cccc3c2c(c1)CC3.O(CCCC)CCCC 2012-05-16T19:28:46Z 1913 acenaphthene c1cc2cccc3c2c(c1)CC3 dibutyl ether O(CCCC)CCCC 0.670 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=dibutyl+ether O=C(Oc1ccccc1C(=O)O)C.O(CCCC)CCCC 2012-05-16T19:28:46Z 1914 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C dibutyl ether O(CCCC)CCCC 0.043 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=dibutyl+ether c1ccc2c(c1)C(=O)c3ccccc3C2=O.O(CCCC)CCCC 2012-05-16T19:28:46Z 1915 anthraquinone c1ccc2c(c1)C(=O)c3ccccc3C2=O dibutyl ether O(CCCC)CCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthraquinone&solvent=dibutyl+ether c1ccc(cc1)C(=O)C(=O)c2ccccc2.O(CCCC)CCCC 2012-05-16T19:28:46Z 1916 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 dibutyl ether O(CCCC)CCCC 0.195 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=dibutyl+ether c1ccc(cc1)C(C(=O)c2ccccc2)O.O(CCCC)CCCC 2012-05-16T19:28:46Z 1917 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O dibutyl ether O(CCCC)CCCC 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=dibutyl+ether c1ccc(cc1)c2ccccc2.O(CCCC)CCCC 2012-05-16T19:28:46Z 1918 biphenyl c1ccc(cc1)c2ccccc2 dibutyl ether O(CCCC)CCCC 1.626 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=dibutyl+ether c1ccc2c(c1)c3ccccc3[nH]2.O(CCCC)CCCC 2012-05-16T19:28:46Z 1919 carbazole c1ccc2c(c1)c3ccccc3[nH]2 dibutyl ether O(CCCC)CCCC 0.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbazole&solvent=dibutyl+ether O=C2c1ccccc1C(=O)c3c2cccc3Cl.O(CCCC)CCCC 2012-05-16T19:28:46Z 1920 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl dibutyl ether O(CCCC)CCCC 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=dibutyl+ether O=S(=O)(c1ccccc1)c2ccccc2.O(CCCC)CCCC 2012-05-16T19:28:46Z 1921 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 dibutyl ether O(CCCC)CCCC 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=dibutyl+ether Clc1ccc(NC(=O)N(C)C)cc1Cl.O(CCCC)CCCC 2012-05-16T19:28:46Z 1922 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl dibutyl ether O(CCCC)CCCC 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=dibutyl+ether c1c(c(cc(c1C)C)C)C.O(CCCC)CCCC 2012-05-16T19:28:46Z 1923 durene c1c(c(cc(c1C)C)C)C dibutyl ether O(CCCC)CCCC 1.461 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=dibutyl+ether c1ccc-2c(c1)-c3cccc4c3c2ccc4.O(CCCC)CCCC 2012-05-16T19:28:46Z 1924 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 dibutyl ether O(CCCC)CCCC 0.301 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=dibutyl+ether c1ccc-2c(c1)Cc3c2cccc3.O(CCCC)CCCC 2012-05-16T19:28:46Z 1925 fluorene c1ccc-2c(c1)Cc3c2cccc3 dibutyl ether O(CCCC)CCCC 0.437 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=dibutyl+ether c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.O(CCCC)CCCC 2012-05-16T19:28:46Z 1926 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl dibutyl ether O(CCCC)CCCC 0.026 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=dibutyl+ether COC(=O)c1ccc(cc1)O.O(CCCC)CCCC 2012-05-16T19:28:46Z 1927 methylparaben COC(=O)c1ccc(cc1)O dibutyl ether O(CCCC)CCCC 0.162 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=dibutyl+ether O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.O(CCCC)CCCC 2012-05-16T19:28:46Z 1928 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C dibutyl ether O(CCCC)CCCC 0.029 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=dibutyl+ether c1ccc2c(c1)ccc3c2cccc3.O(CCCC)CCCC 2012-05-16T19:28:46Z 1929 phenanthrene c1ccc2c(c1)ccc3c2cccc3 dibutyl ether O(CCCC)CCCC 0.570 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=dibutyl+ether c1ccc2c(c1)Nc3ccccc3S2.O(CCCC)CCCC 2012-05-16T19:28:46Z 1930 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 dibutyl ether O(CCCC)CCCC 0.069 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=dibutyl+ether c1cc2ccc3cccc4c3c2c(c1)cc4.O(CCCC)CCCC 2012-05-16T19:28:46Z 1931 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 dibutyl ether O(CCCC)CCCC 0.175 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=dibutyl+ether O=C(c1ccccc1O)N.O(CCCC)CCCC 2012-05-16T19:28:46Z 1932 salicylamide O=C(c1ccccc1O)N dibutyl ether O(CCCC)CCCC 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=dibutyl+ether O=C(O)c1ccccc1O.O(CCCC)CCCC 2012-05-16T19:28:46Z 1933 salicylic acid O=C(O)c1ccccc1O dibutyl ether O(CCCC)CCCC 0.571 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=dibutyl+ether S1c3c(Sc2c1cccc2)cccc3.O(CCCC)CCCC 2012-05-16T19:28:46Z 1934 thianthrene S1c3c(Sc2c1cccc2)cccc3 dibutyl ether O(CCCC)CCCC 0.058 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=dibutyl+ether O=C1c3c(Sc2c1cccc2)cccc3.O(CCCC)CCCC 2012-05-16T19:28:46Z 1935 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 dibutyl ether O(CCCC)CCCC 0.009 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=dibutyl+ether c1ccc(cc1)/C=C/c2ccccc2.O(CCCC)CCCC 2012-05-16T19:28:46Z 1936 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 dibutyl ether O(CCCC)CCCC 0.167 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=dibutyl+ether O2c1ccccc1Cc3c2cccc3.O(CCCC)CCCC 2012-05-16T19:28:46Z 1937 xanthene O2c1ccccc1Cc3c2cccc3 dibutyl ether O(CCCC)CCCC 0.500 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=dibutyl+ether c1ccc2cc3ccccc3cc2c1.O=C(OCCCC)C(=O)OCCCC 2012-05-16T19:28:46Z 1938 anthracene c1ccc2cc3ccccc3cc2c1 dibutyl oxalate O=C(OCCCC)C(=O)OCCCC 0.052 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=dibutyl+oxalate c1cc2cccc3c2c(c1)CC3.ClC(Cl)C 2012-05-16T19:28:46Z 1939 acenaphthene c1cc2cccc3c2c(c1)CC3 dichloroethane ClC(Cl)C 1.728 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=dichloroethane c1ccc(cc1)c2ccccc2.ClC(Cl)C 2012-05-16T19:28:46Z 1940 biphenyl c1ccc(cc1)c2ccccc2 dichloroethane ClC(Cl)C 3.439 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=dichloroethane Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.ClC(Cl)C 2012-05-16T19:28:46Z 1941 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F dichloroethane ClC(Cl)C 2.626 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=dichloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl.ClC(Cl)C 2012-05-16T19:28:46Z 1942 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl dichloroethane ClC(Cl)C 1.748 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=dichloroethane c1ccc2ccccc2c1.ClC(Cl)C 2012-05-16T19:28:46Z 1943 naphthalene c1ccc2ccccc2c1 dichloroethane ClC(Cl)C 3.189 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=dichloroethane Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.ClC(Cl)C 2012-05-16T19:28:46Z 1944 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F dichloroethane ClC(Cl)C 2.721 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=dichloroethane O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2.ClCCl 2012-05-16T19:28:46Z 1945 2-amino-5-nitrobenzophenone O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2 dichloromethane ClCCl 0.532 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-amino-5-nitrobenzophenone&solvent=dichloromethane n2c1ccccc1nc2C.C(Cl)Cl 2012-05-16T19:28:46Z 1946 2-methylbenzimidazole n2c1ccccc1nc2C dichloromethane C(Cl)Cl 0.095 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzimidazole&solvent=dichloromethane O=C(N)C1CC1(C)C.C(Cl)Cl 2012-05-16T19:28:46Z 1947 2,2-dimethylcyclopropanecarboxamide O=C(N)C1CC1(C)C dichloromethane C(Cl)Cl 0.339 Non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,2-dimethylcyclopropanecarboxamide&solvent=dichloromethane [O-][N+](=O)c1cccc2c1C(=O)NC2=O.ClCCl 2012-05-16T19:28:46Z 1948 3-nitrophthalimide [O-][N+](=O)c1cccc2c1C(=O)NC2=O dichloromethane ClCCl 0.034 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalimide&solvent=dichloromethane c1cc(C=O)ccc1[N+](=O)[O-].C(Cl)Cl 2012-05-16T19:28:46Z 1949 4-nitrobenzaldehyde c1cc(C=O)ccc1[N+](=O)[O-] dichloromethane C(Cl)Cl 1.292 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzaldehyde&solvent=dichloromethane O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3.C(Cl)Cl 2012-05-16T19:28:46Z 1950 4-pyrenebutanoic acid O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3 dichloromethane C(Cl)Cl 0.070 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-pyrenebutanoic+acid&solvent=dichloromethane Fc1cc2c(cc1)NC(=O)C2=O.ClCCl 2012-05-16T19:28:46Z 1951 5-fluoroisatin Fc1cc2c(cc1)NC(=O)C2=O dichloromethane ClCCl 0.251 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluoroisatin&solvent=dichloromethane O=C3c1ccccc1c2c3cccc2.ClCCl 2012-05-16T19:28:46Z 1952 9-fluorenone O=C3c1ccccc1c2c3cccc2 dichloromethane ClCCl 4.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=dichloromethane O=C(NP(=O)(OC)SC)C.C(Cl)Cl 2012-05-16T19:28:46Z 1953 acephate O=C(NP(=O)(OC)SC)C dichloromethane C(Cl)Cl 2.503 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acephate&solvent=dichloromethane O=C(Nc1ccc(O)cc1)C.C(Cl)Cl 2012-05-16T19:28:46Z 1954 acetaminophen O=C(Nc1ccc(O)cc1)C dichloromethane C(Cl)Cl 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=dichloromethane c1ccc2cc3ccccc3cc2c1.C(Cl)Cl 2012-05-16T19:28:46Z 1955 anthracene c1ccc2cc3ccccc3cc2c1 dichloromethane C(Cl)Cl 0.144 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=dichloromethane c1ccc2c(c1)[nH]cn2.C(Cl)Cl 2012-05-16T19:28:46Z 1956 benzimidazole c1ccc2c(c1)[nH]cn2 dichloromethane C(Cl)Cl 0.107 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=dichloromethane c1ccc(cc1)c2ccccc2.C(Cl)Cl 2012-05-16T19:28:46Z 1957 biphenyl c1ccc(cc1)c2ccccc2 dichloromethane C(Cl)Cl 3.996 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=dichloromethane O=C(OC(C)(C)C)NCC(=O)O.C(Cl)Cl 2012-05-16T19:28:46Z 1958 boc-glycine O=C(OC(C)(C)C)NCC(=O)O dichloromethane C(Cl)Cl 4.140 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-glycine&solvent=dichloromethane N#CN\C(=N/C)NCCSCc1ncnc1C.C(Cl)Cl 2012-05-16T19:28:46Z 1959 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C dichloromethane C(Cl)Cl 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=dichloromethane O=C(O)C=Cc1ccccc1.ClCCl 2012-05-16T19:28:46Z 1960 cinnamic acid O=C(O)C=Cc1ccccc1 dichloromethane ClCCl 0.690 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=dichloromethane Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.ClCCl 2012-05-16T19:28:46Z 1961 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F dichloromethane ClCCl 3.059 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=dichloromethane Clc1ccc(NC(=O)N(C)C)cc1Cl.C(Cl)Cl 2012-05-16T19:28:46Z 1962 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl dichloromethane C(Cl)Cl 0.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=dichloromethane ClC(Cl)(Cl)C(Cl)(Cl)Cl.C(Cl)Cl 2012-05-16T19:28:46Z 1963 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl dichloromethane C(Cl)Cl 1.967 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=dichloromethane CC(C)Cc1ccc(cc1)C(C)C(=O)O.C(Cl)Cl 2012-05-16T19:28:46Z 1964 ibuprofen CC(C)Cc1ccc(cc1)C(C)C(=O)O dichloromethane C(Cl)Cl 2.817 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=dichloromethane c1ccc2ccccc2c1.C(Cl)Cl 2012-05-16T19:28:46Z 1965 naphthalene c1ccc2ccccc2c1 dichloromethane C(Cl)Cl 3.852 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=dichloromethane O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C.C(Cl)Cl 2012-05-16T19:28:46Z 1966 naproxen O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C dichloromethane C(Cl)Cl 0.227 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=dichloromethane Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.ClCCl 2012-05-16T19:28:46Z 1967 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F dichloromethane ClCCl 2.681 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=dichloromethane CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)O)(C)C.ClCCl 2012-05-16T19:28:46Z 1968 paclitaxel CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)O)(C)C dichloromethane ClCCl 0.020 multiple n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=paclitaxel&solvent=dichloromethane O=Cc2cc3c(c1c2cccc1)cccc3.C(Cl)Cl 2012-05-16T19:28:46Z 1969 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 dichloromethane C(Cl)Cl 0.000 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=dichloromethane O=Cc1ccc2OCOc2c1.C(Cl)Cl 2012-05-16T19:28:46Z 1970 piperonal O=Cc1ccc2OCOc2c1 dichloromethane C(Cl)Cl 7.590 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=piperonal&solvent=dichloromethane O=C(c1cc(Cl)c(Cl)n1)c2c(O)cccc2O.ClCCl 2012-05-16T19:28:46Z 1971 pyoluteorin O=C(c1cc(Cl)c(Cl)n1)c2c(O)cccc2O dichloromethane ClCCl 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyoluteorin&solvent=dichloromethane Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H](/C=C/C=C(/C(=O)NC(=C2O)/C(=C\NN5CCN(CC5)C6CCCC6)/C3=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O.ClCCl 2012-05-16T19:28:46Z 1972 rifapentine Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H](/C=C/C=C(/C(=O)NC(=C2O)/C(=C\NN5CCN(CC5)C6CCCC6)/C3=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O dichloromethane ClCCl 0.239 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=rifapentine&solvent=dichloromethane O=C(O)c1ccccc1O.ClCCl 2012-05-16T19:28:46Z 1973 salicylic acid O=C(O)c1ccccc1O dichloromethane ClCCl 0.150 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=dichloromethane O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C.ClCCl 2012-05-16T19:28:46Z 1974 tenoxicam O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C dichloromethane ClCCl 0.047 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tenoxicam&solvent=dichloromethane O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C.C(Cl)Cl 2012-05-16T19:28:46Z 1975 Ugi product 206B(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C dichloromethane C(Cl)Cl 0.238 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+206B(UC)&solvent=dichloromethane COc1cc(ccc1OC)C=O.C(Cl)Cl 2012-05-16T19:28:46Z 1976 veratraldehyde COc1cc(ccc1OC)C=O dichloromethane C(Cl)Cl 6.060 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=veratraldehyde&solvent=dichloromethane c1ccc2cc3ccccc3cc2c1.CCOC(=O)CCCCC(=O)OCC 2012-05-16T19:28:46Z 1977 anthracene c1ccc2cc3ccccc3cc2c1 diethyl adipate CCOC(=O)CCCCC(=O)OCC 0.052 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=diethyl+adipate [O-][N+](=O)c2cccc1ccccc12.CCOCC 2012-05-16T19:28:46Z 1978 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 diethyl ether CCOCC 2.177 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=diethyl+ether Brc1ccc(Br)cc1.CCOCC 2012-05-16T19:28:46Z 1979 1,4-dibromobenzene Brc1ccc(Br)cc1 diethyl ether CCOCC 1.793 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=diethyl+ether O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.O(CC)CC 2012-05-16T19:28:46Z 1980 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O diethyl ether O(CC)CC 0.570 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=diethyl+ether O=C(O)c1ccccc1OC.O(CC)CC 2012-05-16T19:28:46Z 1981 2-methoxybenzoic acid O=C(O)c1ccccc1OC diethyl ether O(CC)CC 0.240 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=diethyl+ether O=C(O)c1ccccc1C.O(CC)CC 2012-05-16T19:28:46Z 1982 2-methylbenzoic acid O=C(O)c1ccccc1C diethyl ether O(CC)CC 1.650 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=diethyl+ether c1ccc2cc(ccc2c1)O.CCOCC 2012-05-16T19:28:46Z 1983 2-naphthol c1ccc2cc(ccc2c1)O diethyl ether CCOCC 2.675 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=diethyl+ether O=C(O)c1cc(Cl)ccc1.CCOCC 2012-05-16T19:28:46Z 1984 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 diethyl ether CCOCC 0.786 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=diethyl+ether O=C(O)c1cc(ccc1)C.CCOCC 2012-05-16T19:28:46Z 1985 3-methylbenzoic acid O=C(O)c1cc(ccc1)C diethyl ether CCOCC 1.813 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=diethyl+ether O=[N+]([O-])c1cc(C(=O)O)ccc1.CCOCC 2012-05-16T19:28:46Z 1986 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 diethyl ether CCOCC 1.238 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=diethyl+ether O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.CCOCC 2012-05-16T19:28:46Z 1987 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O diethyl ether CCOCC 0.289 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=diethyl+ether O=C(O)c1ccc(N)cc1.CCOCC 2012-05-16T19:28:46Z 1988 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 diethyl ether CCOCC 0.134 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=diethyl+ether O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.O(CC)CC 2012-05-16T19:28:46Z 1989 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O diethyl ether O(CC)CC 0.240 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=diethyl+ether O=C(O)c1ccc(O)cc1.CCOCC 2012-05-16T19:28:46Z 1990 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 diethyl ether CCOCC 0.518 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=diethyl+ether COc1ccc(cc1)C(O)=O.O(CC)CC 2012-05-16T19:28:46Z 1991 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O diethyl ether O(CC)CC 0.090 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=diethyl+ether O=[N+]([O-])c1ccc(C(=O)O)cc1.O(CC)CC 2012-05-16T19:28:46Z 1992 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 diethyl ether O(CC)CC 0.100 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=diethyl+ether O=C(O)CCCc1ccccc1.O(CC)CC 2012-05-16T19:28:46Z 1993 4-phenylbutyric acid O=C(O)CCCc1ccccc1 diethyl ether O(CC)CC 4.130 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-phenylbutyric+acid&solvent=diethyl+ether O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3.O(CC)CC 2012-05-16T19:28:46Z 1994 4-pyrenebutanoic acid O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3 diethyl ether O(CC)CC 0.020 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-pyrenebutanoic+acid&solvent=diethyl+ether O=C3c1ccccc1c2c3cccc2.O(CC)CC 2012-05-16T19:28:46Z 1995 9-fluorenone O=C3c1ccccc1c2c3cccc2 diethyl ether O(CC)CC 0.880 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=diethyl+ether c1cc2cccc3c2c(c1)CC3.CCOCC 2012-05-16T19:28:46Z 1996 acenaphthene c1cc2cccc3c2c(c1)CC3 diethyl ether CCOCC 0.942 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=diethyl+ether O=C(Oc1ccccc1C(=O)O)C.O(CC)CC 2012-05-16T19:28:46Z 1997 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C diethyl ether O(CC)CC 0.262 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=diethyl+ether O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO.O(CC)CC 2012-05-16T19:28:46Z 1998 ascorbic acid O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO diethyl ether O(CC)CC 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ascorbic+acid&solvent=diethyl+ether O=C(O)c2ccc([N+](/[O-])=N/c1ccc(cc1)C(=O)O)cc2.O(CC)CC 2012-05-16T19:28:46Z 1999 azoxydibenzoic acid O=C(O)c2ccc([N+](/[O-])=N/c1ccc(cc1)C(=O)O)cc2 diethyl ether O(CC)CC 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=azoxydibenzoic+acid&solvent=diethyl+ether c1ccc(cc1)C(=O)C(=O)c2ccccc2.CCOCC 2012-05-16T19:28:46Z 2000 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 diethyl ether CCOCC 0.634 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=diethyl+ether O=C(O)c1ccccc1.CCOCC 2012-05-16T19:28:46Z 2001 benzoic acid O=C(O)c1ccccc1 diethyl ether CCOCC 1.816 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=diethyl+ether O=C(OC(C)(C)C)NCC(=O)O.O(CC)CC 2012-05-16T19:28:46Z 2002 boc-glycine O=C(OC(C)(C)C)NCC(=O)O diethyl ether O(CC)CC 2.650 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-glycine&solvent=diethyl+ether c1ccc2c(c1)c3ccccc3[nH]2.CCOCC 2012-05-16T19:28:46Z 2003 carbazole c1ccc2c(c1)c3ccccc3[nH]2 diethyl ether CCOCC 0.125 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbazole&solvent=diethyl+ether O=C2c1ccccc1C(=O)c3c2cccc3Cl.CCOCC 2012-05-16T19:28:46Z 2004 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl diethyl ether CCOCC 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=diethyl+ether N#CN\C(=N/C)NCCSCc1ncnc1C.CCOCC 2012-05-16T19:28:46Z 2005 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C diethyl ether CCOCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=diethyl+ether O=C(O)C=Cc1ccccc1.O(CC)CC 2012-05-16T19:28:46Z 2006 cinnamic acid O=C(O)C=Cc1ccccc1 diethyl ether O(CC)CC 0.537 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=diethyl+ether c1c(c(cc(c1C)C)C)C.CCOCC 2012-05-16T19:28:46Z 2007 durene c1c(c(cc(c1C)C)C)C diethyl ether CCOCC 1.903 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=diethyl+ether c1ccc-2c(c1)-c3cccc4c3c2ccc4.CCOCC 2012-05-16T19:28:46Z 2008 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 diethyl ether CCOCC 0.522 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=diethyl+ether O=C(O)C(c1ccc(cc1)CC(C)C)C.CCOCC 2012-05-16T19:28:46Z 2009 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C diethyl ether CCOCC 0.215 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=diethyl+ether CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.CCOCC 2012-05-16T19:28:46Z 2010 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O diethyl ether CCOCC 0.982 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=diethyl+ether O=C(O)C(O)c1ccccc1.O(CC)CC 2012-05-16T19:28:46Z 2011 mandelic acid O=C(O)C(O)c1ccccc1 diethyl ether O(CC)CC 0.980 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=mandelic+acid&solvent=diethyl+ether COC(=O)c1ccc(cc1)O.CCOCC 2012-05-16T19:28:46Z 2012 methylparaben COC(=O)c1ccc(cc1)O diethyl ether CCOCC 0.816 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=diethyl+ether O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.CCOCC 2012-05-16T19:28:46Z 2013 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C diethyl ether CCOCC 0.112 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=diethyl+ether c1cc(cnc1)C(=O)O.CCOCC 2012-05-16T19:28:46Z 2014 nicotinic acid c1cc(cnc1)C(=O)O diethyl ether CCOCC 0.008 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nicotinic+acid&solvent=diethyl+ether FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.CCOCC 2012-05-16T19:28:46Z 2015 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O diethyl ether CCOCC 0.268 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=diethyl+ether c3cc2ccc1ccccc1c2cc3.O(CC)CC 2012-05-16T19:28:46Z 2016 phenanthrene c3cc2ccc1ccccc1c2cc3 diethyl ether O(CC)CC 1.360 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=diethyl+ether O=Cc2cc3c(c1c2cccc1)cccc3.O(CC)CC 2012-05-16T19:28:46Z 2017 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 diethyl ether O(CC)CC 0.100 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=diethyl+ether c1ccc2c(c1)Nc3ccccc3S2.CCOCC 2012-05-16T19:28:46Z 2018 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 diethyl ether CCOCC 0.252 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=diethyl+ether O=Cc1ccc2OCOc2c1.O(CC)CC 2012-05-16T19:28:46Z 2019 piperonal O=Cc1ccc2OCOc2c1 diethyl ether O(CC)CC 6.380 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=piperonal&solvent=diethyl+ether c1cc2ccc3cccc4c3c2c(c1)cc4.CCOCC 2012-05-16T19:28:46Z 2020 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 diethyl ether CCOCC 0.269 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=diethyl+ether O=C(O)c1ccccc1O.CCOCC 2012-05-16T19:28:46Z 2021 salicylic acid O=C(O)c1ccccc1O diethyl ether CCOCC 1.507 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=diethyl+ether c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.CCOCC 2012-05-16T19:28:46Z 2022 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 diethyl ether CCOCC 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=diethyl+ether S1c3c(Sc2c1cccc2)cccc3.O(CC)CC 2012-05-16T19:28:46Z 2023 thianthrene S1c3c(Sc2c1cccc2)cccc3 diethyl ether O(CC)CC 0.080 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=diethyl+ether O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC.O(CC)CC 2012-05-16T19:28:46Z 2024 Ugi product 176C (UC) O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC diethyl ether O(CC)CC 0.020 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+176C+(UC)&solvent=diethyl+ether O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C.O(CC)CC 2012-05-16T19:28:46Z 2025 Ugi product 206B(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C diethyl ether O(CC)CC 0.000 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+206B(UC)&solvent=diethyl+ether COc1cc(ccc1OC)C=O.O(CC)CC 2012-05-16T19:28:46Z 2026 veratraldehyde COc1cc(ccc1OC)C=O diethyl ether O(CC)CC 3.550 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=veratraldehyde&solvent=diethyl+ether O2c1ccccc1Cc3c2cccc3.O(CC)CC 2012-05-16T19:28:46Z 2027 xanthene O2c1ccccc1Cc3c2cccc3 diethyl ether O(CC)CC 0.790 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=diethyl+ether COC(=O)c1ccc(cc1)O.O=C(N(CC)CC)C 2012-05-16T19:28:46Z 2028 methylparaben COC(=O)c1ccc(cc1)O diethylacetamide O=C(N(CC)CC)C 4.171 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=diethylacetamide O=C(O)C=Cc1ccccc1.C(COCCO)O 2012-05-16T19:28:46Z 2029 cinnamic acid O=C(O)C=Cc1ccccc1 diethylene glycol C(COCCO)O 0.862 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=diethylene+glycol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.C(COCCO)O 2012-05-16T19:28:46Z 2030 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 diethylene glycol C(COCCO)O 0.293 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=diethylene+glycol COC(=O)c1ccc(cc1)O.O=CN(CC)CC 2012-05-16T19:28:46Z 2031 methylparaben COC(=O)c1ccc(cc1)O diethylformamide O=CN(CC)CC 4.072 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=diethylformamide c1ccc2cc3ccccc3cc2c1.COCCOCCOC 2012-05-16T19:28:46Z 2032 anthracene c1ccc2cc3ccccc3cc2c1 diglyme COCCOCCOC 0.078 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=diglyme [O-][N+](=O)c2cccc1ccccc12.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2033 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 diisopropyl ether O(C(C)C)C(C)C 0.775 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=diisopropyl+ether O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2034 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O diisopropyl ether O(C(C)C)C(C)C 0.190 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=diisopropyl+ether O=C(O)c1ccccc1OC.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2035 2-methoxybenzoic acid O=C(O)c1ccccc1OC diisopropyl ether O(C(C)C)C(C)C 0.060 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=diisopropyl+ether O=C(O)c1ccccc1C.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2036 2-methylbenzoic acid O=C(O)c1ccccc1C diisopropyl ether O(C(C)C)C(C)C 0.860 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=diisopropyl+ether O=C(O)c1cc(Cl)ccc1.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2037 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 diisopropyl ether O(C(C)C)C(C)C 0.413 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=diisopropyl+ether O=[N+]([O-])c1cc(C(=O)O)ccc1.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2038 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 diisopropyl ether O(C(C)C)C(C)C 0.443 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=diisopropyl+ether O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2039 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O diisopropyl ether O(C(C)C)C(C)C 0.068 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=diisopropyl+ether O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2040 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O diisopropyl ether O(C(C)C)C(C)C 0.100 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=diisopropyl+ether O=C(O)c1ccc(Cl)cc1.O=C(O)c1ccc(Cl)cc1 2012-05-16T19:28:46Z 2041 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 diisopropyl ether O=C(O)c1ccc(Cl)cc1 0.050 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=diisopropyl+ether COc1ccc(cc1)C(O)=O.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2042 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O diisopropyl ether O(C(C)C)C(C)C 0.030 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=diisopropyl+ether O=[N+]([O-])c1ccc(C(=O)O)cc1.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2043 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 diisopropyl ether O(C(C)C)C(C)C 0.030 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=diisopropyl+ether O=C3c1ccccc1c2c3cccc2.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2044 9-fluorenone O=C3c1ccccc1c2c3cccc2 diisopropyl ether O(C(C)C)C(C)C 0.370 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=diisopropyl+ether c1cc2cccc3c2c(c1)CC3.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2045 acenaphthene c1cc2cccc3c2c(c1)CC3 diisopropyl ether O(C(C)C)C(C)C 0.631 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=diisopropyl+ether O=C(Oc1ccccc1C(=O)O)C.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2046 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C diisopropyl ether O(C(C)C)C(C)C 0.091 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=diisopropyl+ether c1ccc2cc3ccccc3cc2c1.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2047 anthracene c1ccc2cc3ccccc3cc2c1 diisopropyl ether O(C(C)C)C(C)C 0.019 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=diisopropyl+ether c1ccc(cc1)C(=O)C(=O)c2ccccc2.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2048 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 diisopropyl ether O(C(C)C)C(C)C 0.227 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=diisopropyl+ether O=C1NCCCCC1.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2049 caprolactam O=C1NCCCCC1 diisopropyl ether O(C(C)C)C(C)C 0.492 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caprolactam&solvent=diisopropyl+ether O=C2c1ccccc1C(=O)c3c2cccc3Cl.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2050 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl diisopropyl ether O(C(C)C)C(C)C 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=diisopropyl+ether c1ccc-2c(c1)Cc3c2cccc3.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2051 fluorene c1ccc-2c(c1)Cc3c2cccc3 diisopropyl ether O(C(C)C)C(C)C 0.394 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=diisopropyl+ether O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2052 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C diisopropyl ether O(C(C)C)C(C)C 0.043 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=diisopropyl+ether c1ccc2c(c1)Nc3ccccc3S2.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2053 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 diisopropyl ether O(C(C)C)C(C)C 0.088 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=diisopropyl+ether c1cc2ccc3cccc4c3c2c(c1)cc4.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2054 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 diisopropyl ether O(C(C)C)C(C)C 0.149 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=diisopropyl+ether S1c3c(Sc2c1cccc2)cccc3.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2055 thianthrene S1c3c(Sc2c1cccc2)cccc3 diisopropyl ether O(C(C)C)C(C)C 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=diisopropyl+ether O=C1c3c(Sc2c1cccc2)cccc3.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2056 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 diisopropyl ether O(C(C)C)C(C)C 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=diisopropyl+ether O2c1ccccc1Cc3c2cccc3.O(C(C)C)C(C)C 2012-05-16T19:28:46Z 2057 xanthene O2c1ccccc1Cc3c2cccc3 diisopropyl ether O(C(C)C)C(C)C 0.410 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=diisopropyl+ether c1ccc2cc3ccccc3cc2c1.O=C(OC)CCCCC(=O)OC 2012-05-16T19:28:46Z 2058 anthracene c1ccc2cc3ccccc3cc2c1 dimethyl adipate O=C(OC)CCCCC(=O)OC 0.052 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=dimethyl+adipate c1cc(ccc1C(=O)O)O.O=C(N)C(C)C 2012-05-16T19:28:46Z 2059 4-hydroxybenzoic acid c1cc(ccc1C(=O)O)O dimethylacetamide O=C(N)C(C)C 2.373 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=dimethylacetamide Cc1ccc(cc1)C(=O)O.O=C(N)C(C)C 2012-05-16T19:28:46Z 2060 4-methylbenzoic acid Cc1ccc(cc1)C(=O)O dimethylacetamide O=C(N)C(C)C 1.772 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methylbenzoic+acid&solvent=dimethylacetamide C(CCC(=O)O)CC(=O)O.O=C(N(C)C)C 2012-05-16T19:28:46Z 2061 adipic acid C(CCC(=O)O)CC(=O)O dimethylacetamide O=C(N(C)C)C 2.860 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adipic+acid&solvent=dimethylacetamide c1ccc2cc3ccccc3cc2c1.O=C(N(C)C)C 2012-05-16T19:28:46Z 2062 anthracene c1ccc2cc3ccccc3cc2c1 dimethylacetamide O=C(N(C)C)C 0.127 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=dimethylacetamide O=C(O)c1ccccc1.O=C(N)C(C)C 2012-05-16T19:28:46Z 2063 benzoic acid O=C(O)c1ccccc1 dimethylacetamide O=C(N)C(C)C 5.294 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=dimethylacetamide c1ccc-2c(c1)-c3cccc4c3c2ccc4.O=C(N(C)C)C 2012-05-16T19:28:46Z 2064 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 dimethylacetamide O=C(N(C)C)C 0.934 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=dimethylacetamide O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC.O=C(N(C)C)C 2012-05-16T19:28:46Z 2065 griseofulvin O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC dimethylacetamide O=C(N(C)C)C 0.261 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=griseofulvin&solvent=dimethylacetamide COC(=O)c1ccc(cc1)O.O=C(N)C(C)C 2012-05-16T19:28:46Z 2066 methylparaben COC(=O)c1ccc(cc1)O dimethylacetamide O=C(N)C(C)C 4.779 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=dimethylacetamide c1cc2ccc3cccc4c3c2c(c1)cc4.O=C(N(C)C)C 2012-05-16T19:28:46Z 2067 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 dimethylacetamide O=C(N(C)C)C 0.138 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=dimethylacetamide O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.O=C(N(C)C)C 2012-05-16T19:28:46Z 2068 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 dimethylacetamide O=C(N(C)C)C 0.873 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=dimethylacetamide O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C.O=C(N(C)C)C 2012-05-16T19:28:46Z 2069 tenoxicam O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C dimethylacetamide O=C(N(C)C)C 0.114 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tenoxicam&solvent=dimethylacetamide c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.O=C(N)C(C)C 2012-05-16T19:28:46Z 2070 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 dimethylacetamide O=C(N)C(C)C 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=dimethylacetamide c1ccc(cc1)c2ccc(cc2)O.O(CCCCC)CCCCC 2012-05-16T19:28:46Z 2071 4-phenylphenol c1ccc(cc1)c2ccc(cc2)O dipentyl ether O(CCCCC)CCCCC 0.120 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-phenylphenol&solvent=dipentyl+ether c1ccc2cc3ccccc3cc2c1.O(CCCCC)CCCCC 2012-05-16T19:28:46Z 2072 anthracene c1ccc2cc3ccccc3cc2c1 dipentyl ether O(CCCCC)CCCCC 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=dipentyl+ether c1ccc2c(c1)c3ccccc3[nH]2.O(CCCCC)CCCCC 2012-05-16T19:28:46Z 2073 carbazole c1ccc2c(c1)c3ccccc3[nH]2 dipentyl ether O(CCCCC)CCCCC 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbazole&solvent=dipentyl+ether COC(=O)c1ccc(cc1)O.O(CCC)CCC 2012-05-16T19:28:46Z 2074 methylparaben COC(=O)c1ccc(cc1)O dipropyl ether O(CCC)CCC 0.235 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=dipropyl+ether O=C(OCC)C1C(=O)CC(C(=O)C1)C(=O)OCC.CN(C)C=O 2012-05-16T19:28:46Z 2075 1,4-cyclohexanedione-2,5-dicarboxylate O=C(OCC)C1C(=O)CC(C(=O)C1)C(=O)OCC DMF CN(C)C=O 0.074 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-cyclohexanedione-2,5-dicarboxylate&solvent=DMF O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC.CN(C)C=O 2012-05-16T19:28:46Z 2076 2-(4-ethylbenzoyl)benzoic acid O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC DMF CN(C)C=O 3.059 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(4-ethylbenzoyl)benzoic+acid&solvent=DMF O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2.CN(C)C=O 2012-05-16T19:28:46Z 2077 2-amino-5-nitrobenzophenone O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2 DMF CN(C)C=O 1.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-amino-5-nitrobenzophenone&solvent=DMF c1ccc2cc(ccc2c1)O.CN(C)C=O 2012-05-16T19:28:46Z 2078 2-naphthol c1ccc2cc(ccc2c1)O DMF CN(C)C=O 5.056 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=DMF CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-].CN(C)C=O 2012-05-16T19:28:46Z 2079 2,3-dimethyl-2,3-dinitrobutane CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-] DMF CN(C)C=O 0.104 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-dimethyl-2,3-dinitrobutane&solvent=DMF [O-][N+](=O)c1cccc2c1C(=O)NC2=O.CN(C)C=O 2012-05-16T19:28:46Z 2080 3-nitrophthalimide [O-][N+](=O)c1cccc2c1C(=O)NC2=O DMF CN(C)C=O 1.489 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalimide&solvent=DMF Clc1ccc(cc1Cl)C3c2ccccc2C(=O)CC3.CN(C)C=O 2012-05-16T19:28:46Z 2081 4-(3,4-dichlorophenyl)-1-tetralone Clc1ccc(cc1Cl)C3c2ccccc2C(=O)CC3 DMF CN(C)C=O 0.776 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-(3,4-dichlorophenyl)-1-tetralone&solvent=DMF O=C(O)c1ccc(N)cc1.O=C(NC)C 2012-05-16T19:28:46Z 2082 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 DMF O=C(NC)C 0.561 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=DMF O=C(O)c1ccc(O)cc1.O=C(NC)C 2012-05-16T19:28:46Z 2083 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 DMF O=C(NC)C 2.477 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=DMF O=C(O)c1ccc(I)cc1.O=C(NC)C 2012-05-16T19:28:46Z 2084 4-iodobenzoic acid O=C(O)c1ccc(I)cc1 DMF O=C(NC)C 0.600 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-iodobenzoic+acid&solvent=DMF Cc1ccc(cc1)C(=O)O.O=C(NC)C 2012-05-16T19:28:46Z 2085 4-methylbenzoic acid Cc1ccc(cc1)C(=O)O DMF O=C(NC)C 1.466 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methylbenzoic+acid&solvent=DMF c1cc(C=O)ccc1[N+](=O)[O-].CN(C)C=O 2012-05-16T19:28:46Z 2086 4-nitrobenzaldehyde c1cc(C=O)ccc1[N+](=O)[O-] DMF CN(C)C=O 1.684 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzaldehyde&solvent=DMF O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3.CN(C)C=O 2012-05-16T19:28:46Z 2087 4-pyrenebutanoic acid O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3 DMF CN(C)C=O 1.880 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-pyrenebutanoic+acid&solvent=DMF Fc1cc2c(cc1)NC(=O)C2=O.CN(C)C=O 2012-05-16T19:28:46Z 2088 5-fluoroisatin Fc1cc2c(cc1)NC(=O)C2=O DMF CN(C)C=O 0.851 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluoroisatin&solvent=DMF O=C(Nc1ccc(O)cc1)C.O=C(NC)C 2012-05-16T19:28:46Z 2089 acetaminophen O=C(Nc1ccc(O)cc1)C DMF O=C(NC)C 5.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=DMF C(CCC(=O)O)CC(=O)O.CN(C)C=O 2012-05-16T19:28:46Z 2090 adipic acid C(CCC(=O)O)CC(=O)O DMF CN(C)C=O 0.303 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adipic+acid&solvent=DMF c1ccc2cc3ccccc3cc2c1.O=C(NC)C 2012-05-16T19:28:46Z 2091 anthracene c1ccc2cc3ccccc3cc2c1 DMF O=C(NC)C 0.098 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=DMF c1ccc2c(c1)[nH]cn2.CN(C)C=O 2012-05-16T19:28:46Z 2092 benzimidazole c1ccc2c(c1)[nH]cn2 DMF CN(C)C=O 2.221 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=DMF O=C(O)c1ccccc1.O=C(NC)C 2012-05-16T19:28:46Z 2093 benzoic acid O=C(O)c1ccccc1 DMF O=C(NC)C 5.287 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=DMF O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.CN(C)C=O 2012-05-16T19:28:46Z 2094 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 DMF CN(C)C=O 0.056 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=DMF c1ccc-2c(c1)-c3cccc4c3c2ccc4.CN(C)C=O 2012-05-16T19:28:46Z 2095 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 DMF CN(C)C=O 1.063 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=DMF c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.CN(C)C=O 2012-05-16T19:28:46Z 2096 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F DMF CN(C)C=O 0.442 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=DMF O=C(O)C(c1ccc(cc1)CC(C)C)C.O=C(NC)C 2012-05-16T19:28:46Z 2097 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C DMF O=C(NC)C 1.291 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=DMF O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.CN(C)C=O 2012-05-16T19:28:46Z 2098 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C DMF CN(C)C=O 0.187 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=DMF COC(=O)c1ccc(cc1)O.O=C(NC)C 2012-05-16T19:28:46Z 2099 methylparaben COC(=O)c1ccc(cc1)O DMF O=C(NC)C 4.497 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=DMF Fc1cc(cc(F)c1Br)N2C(=O)C=CC2=O.CN(C)C=O 2012-05-16T19:28:46Z 2100 N-[(4-bromo-3,5-difluoro)phenyl]maleimide Fc1cc(cc(F)c1Br)N2C(=O)C=CC2=O DMF CN(C)C=O 0.296 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-[(4-bromo-3,5-difluoro)phenyl]maleimide&solvent=DMF c1ccc2ccccc2c1.CN(C)C=O 2012-05-16T19:28:46Z 2101 naphthalene c1ccc2ccccc2c1 DMF CN(C)C=O 2.991 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=DMF O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.O=C(NC)C 2012-05-16T19:28:46Z 2102 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C DMF O=C(NC)C 1.397 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=DMF FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.O=C(NC)C 2012-05-16T19:28:46Z 2103 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O DMF O=C(NC)C 3.441 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=DMF O=Cc2cc3c(c1c2cccc1)cccc3.CN(C)C=O 2012-05-16T19:28:46Z 2104 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 DMF CN(C)C=O 1.250 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=DMF O=C(O)Cc1ccccc1.O=CN(C)C 2012-05-16T19:28:46Z 2105 phenylacetic acid O=C(O)Cc1ccccc1 DMF O=CN(C)C 3.760 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=DMF c1cc2ccc3cccc4c3c2c(c1)cc4.CN(C)C=O 2012-05-16T19:28:46Z 2106 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 DMF CN(C)C=O 0.565 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=DMF O=C(O)c1ccccc1O.O=C(NC)C 2012-05-16T19:28:46Z 2107 salicylic acid O=C(O)c1ccccc1O DMF O=C(NC)C 4.251 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=DMF O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CN(C)C=O 2012-05-16T19:28:46Z 2108 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 DMF CN(C)C=O 0.956 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=DMF O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2.CN(C)C=O 2012-05-16T19:28:46Z 2109 sulpiride O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2 DMF CN(C)C=O 0.632 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulpiride&solvent=DMF O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C.CN(C)C=O 2012-05-16T19:28:46Z 2110 tenoxicam O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C DMF CN(C)C=O 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tenoxicam&solvent=DMF c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.O=C(NC)C 2012-05-16T19:28:46Z 2111 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 DMF O=C(NC)C 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=DMF O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC.O=CN(C)C 2012-05-16T19:28:46Z 2112 Ugi product 176C (UC) O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC DMF O=CN(C)C 0.270 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+176C+(UC)&solvent=DMF O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C.CN(C)C=O 2012-05-16T19:28:46Z 2113 Ugi product 206B(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C DMF CN(C)C=O 0.239 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+206B(UC)&solvent=DMF O=C(O)[C@@H](N(C(=O)CCCC)Cc3ccc(c1ccccc1c2nnnn2)cc3)C(C)C.CN(C)C=O 2012-05-16T19:28:46Z 2114 valsartan O=C(O)[C@@H](N(C(=O)CCCC)Cc3ccc(c1ccccc1c2nnnn2)cc3)C(C)C DMF CN(C)C=O 0.223 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=valsartan&solvent=DMF O=C(O)Cc1ccc2OCOc2c1.O=S(C)C 2012-05-16T19:28:46Z 2115 2-(1,3-benzodioxol-5-yl)acetic acid O=C(O)Cc1ccc2OCOc2c1 DMSO O=S(C)C 5.370 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(1,3-benzodioxol-5-yl)acetic+acid&solvent=DMSO O=Cc1cc(ccc1Cl)[N+]([O-])=O.O=S(C)C 2012-05-16T19:28:46Z 2116 2-chloro-5-nitrobenzaldehyde O=Cc1cc(ccc1Cl)[N+]([O-])=O DMSO O=S(C)C 2.930 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzaldehyde&solvent=DMSO O=C(O)C(c1ccccc1)CC.O=S(C)C 2012-05-16T19:28:46Z 2117 2-phenylbutyric acid O=C(O)C(c1ccccc1)CC DMSO O=S(C)C 5.970 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-phenylbutyric+acid&solvent=DMSO CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-].CS(=O)C 2012-05-16T19:28:46Z 2118 2,3-dimethyl-2,3-dinitrobutane CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-] DMSO CS(=O)C 0.075 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-dimethyl-2,3-dinitrobutane&solvent=DMSO Clc1ccc(cc1)CC(=O)O.O=S(C)C 2012-05-16T19:28:46Z 2119 4-chlorophenylacetic acid Clc1ccc(cc1)CC(=O)O DMSO O=S(C)C 5.740 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorophenylacetic+acid&solvent=DMSO O=C(O)c1ccc(F)cc1.O=S(C)C 2012-05-16T19:28:46Z 2120 4-fluorobenzoic acid O=C(O)c1ccc(F)cc1 DMSO O=S(C)C 4.190 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-fluorobenzoic+acid&solvent=DMSO O=C(O)c1ccc(O)cc1.CS(=O)C 2012-05-16T19:28:46Z 2121 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 DMSO CS(=O)C 4.608 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=DMSO O=C(O)c1ccc(I)cc1.CS(=O)C 2012-05-16T19:28:46Z 2122 4-iodobenzoic acid O=C(O)c1ccc(I)cc1 DMSO CS(=O)C 1.950 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-iodobenzoic+acid&solvent=DMSO O=C(O)Cc1ccc(OC)cc1.O=S(C)C 2012-05-16T19:28:46Z 2123 4-methoxyphenylacetic acid O=C(O)Cc1ccc(OC)cc1 DMSO O=S(C)C 4.503 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxyphenylacetic+acid&solvent=DMSO c1cc(C=O)ccc1[N+](=O)[O-].O=S(C)C 2012-05-16T19:28:46Z 2124 4-nitrobenzaldehyde c1cc(C=O)ccc1[N+](=O)[O-] DMSO O=S(C)C 1.240 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzaldehyde&solvent=DMSO O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3.O=S(C)C 2012-05-16T19:28:46Z 2125 4-pyrenebutanoic acid O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3 DMSO O=S(C)C 2.067 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-pyrenebutanoic+acid&solvent=DMSO c1cc2cccc3c2c(c1)CC3.CS(=O)C 2012-05-16T19:28:46Z 2126 acenaphthene c1cc2cccc3c2c(c1)CC3 DMSO CS(=O)C 0.490 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=DMSO C(CCC(=O)O)CC(=O)O.CS(=O)C 2012-05-16T19:28:46Z 2127 adipic acid C(CCC(=O)O)CC(=O)O DMSO CS(=O)C 3.748 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adipic+acid&solvent=DMSO c1ccc(cc1)C(=O)C(=O)c2ccccc2.CS(=O)C 2012-05-16T19:28:46Z 2128 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 DMSO CS(=O)C 0.311 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=DMSO O=C(O)c1ccccc1.CS(=O)C 2012-05-16T19:28:46Z 2129 benzoic acid O=C(O)c1ccccc1 DMSO CS(=O)C 5.873 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=DMSO O=C(OC(C)(C)C)NCC(=O)O.O=S(C)C 2012-05-16T19:28:46Z 2130 boc-glycine O=C(OC(C)(C)C)NCC(=O)O DMSO O=S(C)C 4.780 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-glycine&solvent=DMSO ClCC(O)=O.O=S(C)C 2012-05-16T19:28:46Z 2131 chloroacetic acid ClCC(O)=O DMSO O=S(C)C 11.200 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroacetic+acid&solvent=DMSO O=C(O)/C=C/C.O=S(C)C 2012-05-16T19:28:46Z 2132 crotonic acid O=C(O)/C=C/C DMSO O=S(C)C 7.760 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=crotonic+acid&solvent=DMSO O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.CS(=O)C 2012-05-16T19:28:46Z 2133 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 DMSO CS(=O)C 0.048 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=DMSO O=C(O)C(c1ccccc1)c2ccccc2.O=S(C)C 2012-05-16T19:28:46Z 2134 diphenylacetic acid O=C(O)C(c1ccccc1)c2ccccc2 DMSO O=S(C)C 2.560 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenylacetic+acid&solvent=DMSO OC(=O)c1ccco1.O=S(C)C 2012-05-16T19:28:46Z 2135 furoic acid OC(=O)c1ccco1 DMSO O=S(C)C 6.640 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furoic+acid&solvent=DMSO O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC.CS(=O)C 2012-05-16T19:28:46Z 2136 griseofulvin O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC DMSO CS(=O)C 0.237 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=griseofulvin&solvent=DMSO c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.CS(=O)C 2012-05-16T19:28:46Z 2137 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F DMSO CS(=O)C 0.144 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=DMSO C(CC(=O)O)[C@@H](C(=O)O)N.CS(=O)C 2012-05-16T19:28:46Z 2138 L-glutamic acid C(CC(=O)O)[C@@H](C(=O)O)N DMSO CS(=O)C 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=L-glutamic+acid&solvent=DMSO O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cc(O)cc3O.CS(=O)C 2012-05-16T19:28:46Z 2139 luteolin O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cc(O)cc3O DMSO CS(=O)C 0.674 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=luteolin&solvent=DMSO O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.CS(=O)C 2012-05-16T19:28:46Z 2140 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C DMSO CS(=O)C 0.077 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=DMSO COC(=O)c1ccc(cc1)O.CS(=O)C 2012-05-16T19:28:46Z 2141 methylparaben COC(=O)c1ccc(cc1)O DMSO CS(=O)C 5.675 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=DMSO Fc1cc(cc(F)c1Br)N2C(=O)C=CC2=O.CS(=O)C 2012-05-16T19:28:46Z 2142 N-[(4-bromo-3,5-difluoro)phenyl]maleimide Fc1cc(cc(F)c1Br)N2C(=O)C=CC2=O DMSO CS(=O)C 0.205 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-[(4-bromo-3,5-difluoro)phenyl]maleimide&solvent=DMSO O=C(O)c1cccnc1.O=S(C)C 2012-05-16T19:28:46Z 2143 nicotinic acid O=C(O)c1cccnc1 DMSO O=S(C)C 0.631 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nicotinic+acid&solvent=DMSO C(=O)(C(=O)O)O.CS(=O)C 2012-05-16T19:28:46Z 2144 oxalic acid C(=O)(C(=O)O)O DMSO CS(=O)C 7.516 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=oxalic+acid&solvent=DMSO O=Cc2cc3c(c1c2cccc1)cccc3.O=S(C)C 2012-05-16T19:28:46Z 2145 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 DMSO O=S(C)C 0.770 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=DMSO O=C(O)Cc1ccccc1.O=S(C)C 2012-05-16T19:28:46Z 2146 phenylacetic acid O=C(O)Cc1ccccc1 DMSO O=S(C)C 6.350 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=DMSO O=C(C#Cc1ccccc1)O.O=S(C)C 2012-05-16T19:28:46Z 2147 phenylpropynoic acid O=C(C#Cc1ccccc1)O DMSO O=S(C)C 3.330 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylpropynoic+acid&solvent=DMSO O=Cc1ccc2OCOc2c1.O=S(C)C 2012-05-16T19:28:46Z 2148 piperonal O=Cc1ccc2OCOc2c1 DMSO O=S(C)C 6.050 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=piperonal&solvent=DMSO c1cc2ccc3cccc4c3c2c(c1)cc4.CS(=O)C 2012-05-16T19:28:46Z 2149 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 DMSO CS(=O)C 0.453 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=DMSO O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CS(=O)C 2012-05-16T19:28:46Z 2150 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 DMSO CS(=O)C 2.182 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=DMSO O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C.CS(=O)C 2012-05-16T19:28:46Z 2151 tenoxicam O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C DMSO CS(=O)C 0.210 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tenoxicam&solvent=DMSO c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.CS(=O)C 2012-05-16T19:28:46Z 2152 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 DMSO CS(=O)C 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=DMSO C(=S)(N)N.CS(=O)C 2012-05-16T19:28:46Z 2153 thiourea C(=S)(N)N DMSO CS(=O)C 3.891 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiourea&solvent=DMSO CC(C)(C)NC(=O)C(c1ccc2OCOc2c1)N(Cc3ccc(C)o3)C(=O)CNC(=O)OC(C)(C)C.O=S(C)C 2012-05-16T19:28:46Z 2154 UCExp216-3A CC(C)(C)NC(=O)C(c1ccc2OCOc2c1)N(Cc3ccc(C)o3)C(=O)CNC(=O)OC(C)(C)C DMSO O=S(C)C 0.280 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=UCExp216-3A&solvent=DMSO CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23.O=S(C)C 2012-05-16T19:28:46Z 2155 Ugi product 150D(UC) CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23 DMSO O=S(C)C 0.180 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+150D(UC)&solvent=DMSO O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC.O=S(C)C 2012-05-16T19:28:46Z 2156 Ugi product 176C (UC) O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC DMSO O=S(C)C 0.190 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+176C+(UC)&solvent=DMSO O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C.O=S(C)C 2012-05-16T19:28:46Z 2157 Ugi product 206B(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C DMSO O=S(C)C 0.229 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+206B(UC)&solvent=DMSO Clc5ccc(CC(=O)N(Cc1ccccc1)C(c3cc4ccccc4c2ccccc23)C(=O)NCCCC)cc5.O=S(C)C 2012-05-16T19:28:46Z 2158 Ugi product 215F(UC) Clc5ccc(CC(=O)N(Cc1ccccc1)C(c3cc4ccccc4c2ccccc23)C(=O)NCCCC)cc5 DMSO O=S(C)C 0.380 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+215F(UC)&solvent=DMSO Cc1ccc(o1)CC(C(c2ccc(c(c2)OC)OC)C(=O)NC(C)(C)C)C(=O)CNC(=O)OC(C)(C)C.O=S(C)C 2012-05-16T19:28:46Z 2159 Ugi Product 216-4A Cc1ccc(o1)CC(C(c2ccc(c(c2)OC)OC)C(=O)NC(C)(C)C)C(=O)CNC(=O)OC(C)(C)C DMSO O=S(C)C 0.060 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+Product+216-4A&solvent=DMSO COc1cc(ccc1OC)C=O.O=S(C)C 2012-05-16T19:28:46Z 2160 veratraldehyde COc1cc(ccc1OC)C=O DMSO O=S(C)C 5.310 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=veratraldehyde&solvent=DMSO c1cc2cccc3c2c(c1)CC3.C(CCCCCCCC)CCC 2012-05-16T19:28:46Z 2161 acenaphthene c1cc2cccc3c2c(c1)CC3 dodecane C(CCCCCCCC)CCC 0.403 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=dodecane c1ccc2cc3ccccc3cc2c1.C(CCCCCCCC)CCC 2012-05-16T19:28:46Z 2162 anthracene c1ccc2cc3ccccc3cc2c1 dodecane C(CCCCCCCC)CCC 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=dodecane c1ccc(cc1)C(=O)C(=O)c2ccccc2.C(CCCCCCCC)CCC 2012-05-16T19:28:46Z 2163 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 dodecane C(CCCCCCCC)CCC 0.108 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=dodecane O=C(c1ccccc1)c2ccccc2.C(CCCCCCCC)CCC 2012-05-16T19:28:46Z 2164 benzophenone O=C(c1ccccc1)c2ccccc2 dodecane C(CCCCCCCC)CCC 0.130 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzophenone&solvent=dodecane C1=CC(=O)C=CC1=O.C(CCCCCCCC)CCC 2012-05-16T19:28:46Z 2165 benzoquinone C1=CC(=O)C=CC1=O dodecane C(CCCCCCCC)CCC 0.039 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoquinone&solvent=dodecane c1ccc-2c(c1)Cc3c2cccc3.C(CCCCCCCC)CCC 2012-05-16T19:28:46Z 2166 fluorene c1ccc-2c(c1)Cc3c2cccc3 dodecane C(CCCCCCCC)CCC 0.239 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=dodecane c1cc2ccc3cccc4c3c2c(c1)cc4.C(CCCCCCCC)CCC 2012-05-16T19:28:46Z 2167 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 dodecane C(CCCCCCCC)CCC 0.109 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=dodecane c1ccc(cc1)/C=C/c2ccccc2.C(CCCCCCCC)CCC 2012-05-16T19:28:46Z 2168 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 dodecane C(CCCCCCCC)CCC 0.075 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=dodecane C1C2CC3CC1CC(C2)(C3)N.OCC 2012-05-16T19:28:46Z 2169 1-adamantylamine C1C2CC3CC1CC(C2)(C3)N ethanol OCC 0.820 amine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-adamantylamine&solvent=ethanol O=C(O)Cn1nnnc1.CCO 2012-05-16T19:28:46Z 2170 1-H-tetrazole-1-acetic acid O=C(O)Cn1nnnc1 ethanol CCO 1.481 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-H-tetrazole-1-acetic+acid&solvent=ethanol [O-][N+](=O)c2cccc1ccccc12.CCO 2012-05-16T19:28:46Z 2171 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 ethanol CCO 0.454 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=ethanol NCCCCCCCCCCCCCCCCCC.OCC 2012-05-16T19:28:46Z 2172 1-octadecylamine NCCCCCCCCCCCCCCCCCC ethanol OCC 1.770 amine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-octadecylamine&solvent=ethanol n1cnnc1.CCO 2012-05-16T19:28:46Z 2173 1,2,4-triazole n1cnnc1 ethanol CCO 3.187 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,4-triazole&solvent=ethanol O1COCOC1.CCO 2012-05-16T19:28:46Z 2174 1,3,5-trioxane O1COCOC1 ethanol CCO 2.467 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,3,5-trioxane&solvent=ethanol O=Cc2c1c(cccc1)c(Cl)c3c2cccc3.OCC 2012-05-16T19:28:46Z 2175 10-chloro-9-anthraldehyde O=Cc2c1c(cccc1)c(Cl)c3c2cccc3 ethanol OCC 0.004 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=10-chloro-9-anthraldehyde&solvent=ethanol c1c(cc(c(c1Cl)OCCBr)Cl)Cl.CCO 2012-05-16T19:28:46Z 2176 2-(2,4,6-trichlorophenoxy)ethyl bromide c1c(cc(c(c1Cl)OCCBr)Cl)Cl ethanol CCO 0.179 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(2,4,6-trichlorophenoxy)ethyl+bromide&solvent=ethanol O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC.CCO 2012-05-16T19:28:46Z 2177 2-(4-ethylbenzoyl)benzoic acid O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC ethanol CCO 1.671 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(4-ethylbenzoyl)benzoic+acid&solvent=ethanol Oc2ccc(N=Nc1ccccc1C(O)=O)cc2.OCC 2012-05-16T19:28:46Z 2178 2-(4-hydroxyphenyl-azo)benzoic acid Oc2ccc(N=Nc1ccccc1C(O)=O)cc2 ethanol OCC 0.084 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(4-hydroxyphenyl-azo)benzoic+acid&solvent=ethanol O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2.CCO 2012-05-16T19:28:46Z 2179 2-amino-5-nitrobenzophenone O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2 ethanol CCO 0.022 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-amino-5-nitrobenzophenone&solvent=ethanol Clc1c(O)c(cc([N+]([O-])=O)c1O)[N+]([O-])=O.CCO 2012-05-16T19:28:46Z 2180 2-chloro-4,6-dinitroresorcinol Clc1c(O)c(cc([N+]([O-])=O)c1O)[N+]([O-])=O ethanol CCO 0.047 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-4,6-dinitroresorcinol&solvent=ethanol c1cc(ncc1CCl)Cl.CCO 2012-05-16T19:28:46Z 2181 2-chloro-5-chloromethylpyridine c1cc(ncc1CCl)Cl ethanol CCO 0.144 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-chloromethylpyridine&solvent=ethanol O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.OCC 2012-05-16T19:28:46Z 2182 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O ethanol OCC 1.400 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=ethanol O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.CCO 2012-05-16T19:28:46Z 2183 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC ethanol CCO 0.076 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=ethanol O=C(O)c1ccccc1OC.OCC 2012-05-16T19:28:46Z 2184 2-methoxybenzoic acid O=C(O)c1ccccc1OC ethanol OCC 1.190 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=ethanol O=C(O)c1ccccc1C.OCC 2012-05-16T19:28:46Z 2185 2-methylbenzoic acid O=C(O)c1ccccc1C ethanol OCC 2.080 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=ethanol O=C(O)C(=O)CCC(=O)O.OCC 2012-05-16T19:28:46Z 2186 2-oxopentanedioic acid O=C(O)C(=O)CCC(=O)O ethanol OCC 2.990 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-oxopentanedioic+acid&solvent=ethanol O=C(O)C(c1ccccc1)CC.OCC 2012-05-16T19:28:46Z 2187 2-phenylbutyric acid O=C(O)C(c1ccccc1)CC ethanol OCC 6.200 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-phenylbutyric+acid&solvent=ethanol O=C(N)C1CC1(C)C.CCO 2012-05-16T19:28:46Z 2188 2,2-dimethylcyclopropanecarboxamide O=C(N)C1CC1(C)C ethanol CCO 1.669 Non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,2-dimethylcyclopropanecarboxamide&solvent=ethanol c1cc(nc(c1)N)N.CCO 2012-05-16T19:28:46Z 2189 2,6-diaminopyridine c1cc(nc(c1)N)N ethanol CCO 3.220 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,6-diaminopyridine&solvent=ethanol O=C(O)c1cc(ccc1)C.CCO 2012-05-16T19:28:46Z 2190 3-methylbenzoic acid O=C(O)c1cc(ccc1)C ethanol CCO 2.357 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=ethanol [O-][N+](=O)C1=N\C(=O)\N=N1.CCO 2012-05-16T19:28:46Z 2191 3-nitro-1,2,4-triazol-5-one [O-][N+](=O)C1=N\C(=O)\N=N1 ethanol CCO 0.234 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitro-1,2,4-triazol-5-one&solvent=ethanol O=[N+]([O-])c1cc(C(=O)O)ccc1.CCO 2012-05-16T19:28:46Z 2192 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 ethanol CCO 2.551 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=ethanol [O-][N+](=O)c1cccc2c1C(=O)NC2=O.CCO 2012-05-16T19:28:46Z 2193 3-nitrophthalimide [O-][N+](=O)c1cccc2c1C(=O)NC2=O ethanol CCO 0.029 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalimide&solvent=ethanol Cc1ccc(cc1C)C=O.OCC 2012-05-16T19:28:46Z 2194 3,4-dimethylbenzaldehyde Cc1ccc(cc1C)C=O ethanol OCC 7.540 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,4-dimethylbenzaldehyde&solvent=ethanol O=C(O)Cc1ccc2OCOc2c1.OCC 2012-05-16T19:28:46Z 2195 3,4-methylendioxyphenylacetic acid O=C(O)Cc1ccc2OCOc2c1 ethanol OCC 0.550 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,4-methylendioxyphenylacetic+acid&solvent=ethanol Cc1cc(C=O)cc(C)c1.OCC 2012-05-16T19:28:46Z 2196 3,5-dimethylbenzaldehyde Cc1cc(C=O)cc(C)c1 ethanol OCC 7.440 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dimethylbenzaldehyde&solvent=ethanol O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.CCO 2012-05-16T19:28:46Z 2197 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O ethanol CCO 0.744 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=ethanol Clc1ccc(cc1Cl)C3c2ccccc2C(=O)CC3.CCO 2012-05-16T19:28:46Z 2198 4-(3,4-dichlorophenyl)-1-tetralone Clc1ccc(cc1Cl)C3c2ccccc2C(=O)CC3 ethanol CCO 0.051 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-(3,4-dichlorophenyl)-1-tetralone&solvent=ethanol O=C(Nc1ccc(cc1)C(=O)O)C.OCC 2012-05-16T19:28:46Z 2199 4-acetamidobenzoic acid O=C(Nc1ccc(cc1)C(=O)O)C ethanol OCC 0.230 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-acetamidobenzoic+acid&solvent=ethanol O=C(O)c1ccc(N)cc1.CCO 2012-05-16T19:28:46Z 2200 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 ethanol CCO 0.801 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=ethanol O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.OCC 2012-05-16T19:28:46Z 2201 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O ethanol OCC 0.550 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=ethanol O=Cc1ccc(Cl)cc1.OCC 2012-05-16T19:28:46Z 2202 4-chlorobenzaldehyde O=Cc1ccc(Cl)cc1 ethanol OCC 2.808 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzaldehyde&solvent=ethanol O=C(O)c1ccc(Cl)cc1.CCO 2012-05-16T19:28:46Z 2203 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 ethanol CCO 0.170 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=ethanol Clc2ccc(c1ccccc1)cc2.CCO 2012-05-16T19:28:46Z 2204 4-chlorobiphenyl Clc2ccc(c1ccccc1)cc2 ethanol CCO 0.562 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobiphenyl&solvent=ethanol O=CC=Cc1ccc(N(C)C)cc1.OCC 2012-05-16T19:28:46Z 2205 4-dimethylamino cinnamaldehyde O=CC=Cc1ccc(N(C)C)cc1 ethanol OCC 0.057 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-dimethylamino+cinnamaldehyde&solvent=ethanol O=Cc1ccc(N(C)C)cc1.OCC 2012-05-16T19:28:46Z 2206 4-dimethylaminobenzaldehyde O=Cc1ccc(N(C)C)cc1 ethanol OCC 0.630 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-dimethylaminobenzaldehyde&solvent=ethanol CCc1ccc(C=O)cc1.OCC 2012-05-16T19:28:46Z 2207 4-ethylbenzaldehyde CCc1ccc(C=O)cc1 ethanol OCC 7.300 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-ethylbenzaldehyde&solvent=ethanol O=C(O)c1ccc(F)cc1.OCC 2012-05-16T19:28:46Z 2208 4-fluorobenzoic acid O=C(O)c1ccc(F)cc1 ethanol OCC 0.800 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-fluorobenzoic+acid&solvent=ethanol O=Cc1ccc(O)c(c1)C.OCC 2012-05-16T19:28:46Z 2209 4-hydroxy-3-methylbenzaldehyde O=Cc1ccc(O)c(c1)C ethanol OCC 2.146 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxy-3-methylbenzaldehyde&solvent=ethanol O=Cc1ccc(O)cc1.OCC 2012-05-16T19:28:46Z 2210 4-hydroxybenzaldehyde O=Cc1ccc(O)cc1 ethanol OCC 2.523 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzaldehyde&solvent=ethanol O=C(O)c1ccc(O)cc1.CCO 2012-05-16T19:28:46Z 2211 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 ethanol CCO 1.983 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=ethanol O=C(O)Cc1ccc(O)cc1.CCO 2012-05-16T19:28:46Z 2212 4-hydroxyphenylacetic acid O=C(O)Cc1ccc(O)cc1 ethanol CCO 2.294 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxyphenylacetic+acid&solvent=ethanol c1cc(O)ccc1CC(=O)C(=O)O.OCC 2012-05-16T19:28:46Z 2213 4-hydroxyphenylpyruvic acid c1cc(O)ccc1CC(=O)C(=O)O ethanol OCC 0.710 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxyphenylpyruvic+acid&solvent=ethanol COc1ccc(cc1)C(O)=O.OCC 2012-05-16T19:28:46Z 2214 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O ethanol OCC 0.200 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=ethanol O=C(O)c1ccc(cc1)C.OCC 2012-05-16T19:28:46Z 2215 4-methylbenzoic acid O=C(O)c1ccc(cc1)C ethanol OCC 0.772 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methylbenzoic+acid&solvent=ethanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OCC 2012-05-16T19:28:46Z 2216 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 ethanol OCC 0.140 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=ethanol ClCc1ccc([N+]([O-])=O)cc1.CCO 2012-05-16T19:28:46Z 2217 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 ethanol CCO 0.310 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=ethanol c1cc(CC(=O)O)ccc1[N+](=O)[O-].OCC 2012-05-16T19:28:46Z 2218 4-nitrophenylacetic acid c1cc(CC(=O)O)ccc1[N+](=O)[O-] ethanol OCC 0.710 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrophenylacetic+acid&solvent=ethanol O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3.OCC 2012-05-16T19:28:46Z 2219 4-pyrenebutanoic acid O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3 ethanol OCC 0.060 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-pyrenebutanoic+acid&solvent=ethanol Clc1cc2nccc(Cl)c2cc1.CCO 2012-05-16T19:28:46Z 2220 4,7-dichloroquinoline Clc1cc2nccc(Cl)c2cc1 ethanol CCO 0.183 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4,7-dichloroquinoline&solvent=ethanol O=C(O)c1cc(ccc1O)N.CCO 2012-05-16T19:28:46Z 2221 5-aminosalicylic acid O=C(O)c1cc(ccc1O)N ethanol CCO 0.037 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-aminosalicylic+acid&solvent=ethanol Fc1cc2c(cc1)NC(=O)C2=O.CCO 2012-05-16T19:28:46Z 2222 5-fluoroisatin Fc1cc2c(cc1)NC(=O)C2=O ethanol CCO 0.071 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluoroisatin&solvent=ethanol C(CCC(=O)O)CCN.OCC 2012-05-16T19:28:46Z 2223 6-aminocaproic acid C(CCC(=O)O)CCN ethanol OCC 0.002 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=6-aminocaproic+acid&solvent=ethanol BrCCCCCCCC(=O)O.OCC 2012-05-16T19:28:46Z 2224 8-bromooctanoic acid BrCCCCCCCC(=O)O ethanol OCC 4.072 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=8-bromooctanoic+acid&solvent=ethanol O=C3c1ccccc1c2c3cccc2.OCC 2012-05-16T19:28:46Z 2225 9-fluorenone O=C3c1ccccc1c2c3cccc2 ethanol OCC 3.080 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=ethanol Clc2cccc(Cl)c2Nc1ccccc1CC(=O)OCC(=O)O.CCO 2012-05-16T19:28:46Z 2226 aceclofenac Clc2cccc(Cl)c2Nc1ccccc1CC(=O)OCC(=O)O ethanol CCO 0.039 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac&solvent=ethanol CC(C(=O)OC)NC(=O)COC(=O)CC1=CC=CC=CC1NC2=C(CC=CC=C2Cl)Cl.CCO 2012-05-16T19:28:46Z 2227 aceclofenac alanine methyl aster CC(C(=O)OC)NC(=O)COC(=O)CC1=CC=CC=CC1NC2=C(CC=CC=C2Cl)Cl ethanol CCO 0.055 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac+alanine+methyl+aster&solvent=ethanol CC(C)CC(C(=O)OC)NC(=O)COC(=O)CC1=CC=CC=CC1NC2=C(C=CC=CC2Cl)Cl.CCO 2012-05-16T19:28:46Z 2228 aceclofenac leucine methyl aster CC(C)CC(C(=O)OC)NC(=O)COC(=O)CC1=CC=CC=CC1NC2=C(C=CC=CC2Cl)Cl ethanol CCO 0.051 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac+leucine+methyl+aster&solvent=ethanol COC(=O)C1CCCN1C(=O)COC(=O)CC2=CC(C=CC=C2)NC3=C(C=CC=CC3Cl)Cl.CCO 2012-05-16T19:28:46Z 2229 aceclofenac proline methyl aster COC(=O)C1CCCN1C(=O)COC(=O)CC2=CC(C=CC=C2)NC3=C(C=CC=CC3Cl)Cl ethanol CCO 0.056 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac+proline+methyl+aster&solvent=ethanol CC(C)C(C(=O)OC)NC(=O)COC(=O)CC1=CC(C=CC=C1)NC2=C(C=CC=CC2Cl)Cl.CCO 2012-05-16T19:28:46Z 2230 aceclofenac valine methyl aster CC(C)C(C(=O)OC)NC(=O)COC(=O)CC1=CC(C=CC=C1)NC2=C(C=CC=CC2Cl)Cl ethanol CCO 0.048 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac+valine+methyl+aster&solvent=ethanol c1cc2cccc3c2c(c1)CC3.CCO 2012-05-16T19:28:46Z 2231 acenaphthene c1cc2cccc3c2c(c1)CC3 ethanol CCO 0.179 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=ethanol O=C(Nc1ccc(O)cc1)C.CCO 2012-05-16T19:28:46Z 2232 acetaminophen O=C(Nc1ccc(O)cc1)C ethanol CCO 1.659 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=ethanol O=C(Nc1ccccc1)C.CCO 2012-05-16T19:28:46Z 2233 acetanilide O=C(Nc1ccccc1)C ethanol CCO 1.599 amide n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=ethanol O=C(Oc1ccccc1C(=O)O)C.CCO 2012-05-16T19:28:46Z 2234 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C ethanol CCO 1.309 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=ethanol C(CCC(=O)O)CC(=O)O.CCO 2012-05-16T19:28:46Z 2235 adipic acid C(CCC(=O)O)CC(=O)O ethanol CCO 0.651 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adipic+acid&solvent=ethanol O=C(O)C(N)C.CCO 2012-05-16T19:28:46Z 2236 alanine O=C(O)C(N)C ethanol CCO 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=alanine&solvent=ethanol c4cc2ccc1ccc(N)c3c1c2c(cc3)c4.CCO 2012-05-16T19:28:46Z 2237 aminopyrene c4cc2ccc1ccc(N)c3c1c2c(cc3)c4 ethanol CCO 1.643 amine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aminopyrene&solvent=ethanol O=C1NC(=O)NC(=O)C1(CCC(C)C)CC.CCO 2012-05-16T19:28:46Z 2238 amobarbital O=C1NC(=O)NC(=O)C1(CCC(C)C)CC ethanol CCO 0.971 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=amobarbital&solvent=ethanol c1ccc2cc3ccccc3cc2c1.CCO 2012-05-16T19:28:46Z 2239 anthracene c1ccc2cc3ccccc3cc2c1 ethanol CCO 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=ethanol O=C2\C=C(/N(N2c1ccccc1)C)C.CCO 2012-05-16T19:28:46Z 2240 antipyrine O=C2\C=C(/N(N2c1ccccc1)C)C ethanol CCO 2.258 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=antipyrine&solvent=ethanol O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C.CCO 2012-05-16T19:28:46Z 2241 artemisinin O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C ethanol CCO 0.079 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=artemisinin&solvent=ethanol O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO.CCO 2012-05-16T19:28:46Z 2242 ascorbic acid O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO ethanol CCO 0.047 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ascorbic+acid&solvent=ethanol O=C(N)CC(N)C(=O)O.CCO 2012-05-16T19:28:46Z 2243 asparagine O=C(N)CC(N)C(=O)O ethanol CCO 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=asparagine&solvent=ethanol O=C(O)CC(N)C(=O)O.CCO 2012-05-16T19:28:46Z 2244 aspartic acid O=C(O)CC(N)C(=O)O ethanol CCO 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aspartic+acid&solvent=ethanol O=C1NC(=O)NC(=O)C1(CC)CC.CCO 2012-05-16T19:28:46Z 2245 barbital O=C1NC(=O)NC(=O)C1(CC)CC ethanol CCO 0.501 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=barbital&solvent=ethanol c1ccc(cc1)/C=N/c2ccccc2.OCC 2012-05-16T19:28:46Z 2246 benzalaniline c1ccc(cc1)/C=N/c2ccccc2 ethanol OCC 1.270 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzalaniline&solvent=ethanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.CCO 2012-05-16T19:28:46Z 2247 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 ethanol CCO 0.174 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=ethanol c1ccc2c(c1)[nH]cn2.CCO 2012-05-16T19:28:46Z 2248 benzimidazole c1ccc2c(c1)[nH]cn2 ethanol CCO 1.378 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=ethanol O=C(OCC)c1ccc(N)cc1.CCO 2012-05-16T19:28:46Z 2249 benzocaine O=C(OCC)c1ccc(N)cc1 ethanol CCO 1.134 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=ethanol c1ccccc1C(=O)O.OCC 2012-05-16T19:28:46Z 2250 benzoic acid c1ccccc1C(=O)O ethanol OCC 2.614 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=ethanol c1ccc(cc1)C(C(=O)c2ccccc2)O.CCO 2012-05-16T19:28:46Z 2251 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O ethanol CCO 0.040 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=ethanol O=C(O)c1ccc2nnnc2c1.OCC 2012-05-16T19:28:46Z 2252 benzotriazole-5-carboxylic acid O=C(O)c1ccc2nnnc2c1 ethanol OCC 0.034 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzotriazole-5-carboxylic+acid&solvent=ethanol O=C(O)CCN.CCO 2012-05-16T19:28:46Z 2253 beta-alanine O=C(O)CCN ethanol CCO 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=beta-alanine&solvent=ethanol O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5.CCO 2012-05-16T19:28:46Z 2254 betulinic acid O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5 ethanol CCO 0.018 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=betulinic+acid&solvent=ethanol c1ccc(cc1)c2ccccc2.CCO 2012-05-16T19:28:46Z 2255 biphenyl c1ccc(cc1)c2ccccc2 ethanol CCO 0.554 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=ethanol c1cccc2oc(nc12)CSCc3nc4ccccc4o3.CCO 2012-05-16T19:28:46Z 2256 bis(benzoxazolyl-2-methyl)sulfide c1cccc2oc(nc12)CSCc3nc4ccccc4o3 ethanol CCO 0.582 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=bis(benzoxazolyl-2-methyl)sulfide&solvent=ethanol O=C(OC(C)(C)C)NCC(=O)O.OCC 2012-05-16T19:28:46Z 2257 boc-glycine O=C(OC(C)(C)C)NCC(=O)O ethanol OCC 4.110 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-glycine&solvent=ethanol O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C.CCO 2012-05-16T19:28:46Z 2258 budesonide O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C ethanol CCO 0.063 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=budesonide&solvent=ethanol O=C1NC(=O)NC(=O)C1(C(C)CC)CC.CCO 2012-05-16T19:28:46Z 2259 butabarbital O=C1NC(=O)NC(=O)C1(C(C)CC)CC ethanol CCO 0.396 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butabarbital&solvent=ethanol O=C(OCCCC)c1ccc(O)cc1.CCO 2012-05-16T19:28:46Z 2260 butylparaben O=C(OCCCC)c1ccc(O)cc1 ethanol CCO 3.606 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butylparaben&solvent=ethanol O=C2N(c1ncn(c1C(=O)N2C)C)C.CCO 2012-05-16T19:28:46Z 2261 caffeine O=C2N(c1ncn(c1C(=O)N2C)C)C ethanol CCO 0.029 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caffeine&solvent=ethanol c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N.CCO 2012-05-16T19:28:46Z 2262 carbamazepine c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N ethanol CCO 0.088 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbamazepine&solvent=ethanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.CCO 2012-05-16T19:28:46Z 2263 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl ethanol CCO 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=ethanol C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C.CCO 2012-05-16T19:28:46Z 2264 cholesterol C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C ethanol CCO 0.052 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cholesterol&solvent=ethanol N#CN\C(=N/C)NCCSCc1ncnc1C.CCO 2012-05-16T19:28:46Z 2265 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C ethanol CCO 0.148 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=ethanol O=C(O)C=Cc1ccccc1.CCO 2012-05-16T19:28:46Z 2266 cinnamic acid O=C(O)C=Cc1ccccc1 ethanol CCO 1.119 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=ethanol O=C(O)CC(O)(C(=O)O)CC(=O)O.OCC 2012-05-16T19:28:46Z 2267 citric acid anhydrous O=C(O)CC(O)(C(=O)O)CC(=O)O ethanol OCC 1.600 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=citric+acid+anhydrous&solvent=ethanol O=C(O)CC(O)(C(=O)O)CC(=O)O.OCC 2012-05-16T19:28:46Z 2268 citric acid monohydrate O=C(O)CC(O)(C(=O)O)CC(=O)O ethanol OCC 1.776 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=citric+acid+monohydrate&solvent=ethanol [O-][N+](=O)c3cc\1c(NC(=O)C/N=C/1c2ccccc2Cl)cc3.CCO 2012-05-16T19:28:46Z 2269 clonazepam [O-][N+](=O)c3cc\1c(NC(=O)C/N=C/1c2ccccc2Cl)cc3 ethanol CCO 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=clonazepam&solvent=ethanol O=C(O)/C=C/C.OCC 2012-05-16T19:28:46Z 2270 crotonic acid O=C(O)/C=C/C ethanol OCC 6.150 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=crotonic+acid&solvent=ethanol O[C@H]1[C@H](O)[C@H](OC(O)[C@@H]1O)CO.OCC 2012-05-16T19:28:46Z 2271 D-glucose O[C@H]1[C@H](O)[C@H](OC(O)[C@@H]1O)CO ethanol OCC 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=D-glucose&solvent=ethanol O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO.OCC 2012-05-16T19:28:46Z 2272 D-mannitol O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO ethanol OCC 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=D-mannitol&solvent=ethanol Clc3cc\1c(N(C(=O)C/N=C/1c2ccccc2)C)cc3.CCO 2012-05-16T19:28:46Z 2273 diazepam Clc3cc\1c(N(C(=O)C/N=C/1c2ccccc2)C)cc3 ethanol CCO 0.092 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diazepam&solvent=ethanol O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.CCO 2012-05-16T19:28:46Z 2274 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 ethanol CCO 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=ethanol Fc1ccc(cc1)N\3c2cc(c(F)cc2C(=O)C(/C(=O)O)=C/3)N4CCN(C)CC4.CCO 2012-05-16T19:28:46Z 2275 difloxacin Fc1ccc(cc1)N\3c2cc(c(F)cc2C(=O)C(/C(=O)O)=C/3)N4CCN(C)CC4 ethanol CCO 0.720 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=difloxacin&solvent=ethanol O=C(OC)\C=C\C(=O)OC.CCO 2012-05-16T19:28:46Z 2276 dimethyl fumarate O=C(OC)\C=C\C(=O)OC ethanol CCO 0.103 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dimethyl+fumarate&solvent=ethanol c1ccc(cc1)OC(=O)Oc2ccccc2.CCO 2012-05-16T19:28:46Z 2277 diphenyl carbonate c1ccc(cc1)OC(=O)Oc2ccccc2 ethanol CCO 0.221 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+carbonate&solvent=ethanol O=S(=O)(c1ccccc1)c2ccccc2.CCO 2012-05-16T19:28:46Z 2278 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 ethanol CCO 0.090 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=ethanol O=C(O)C(c1ccccc1)c2ccccc2.OCC 2012-05-16T19:28:46Z 2279 diphenylacetic acid O=C(O)C(c1ccccc1)c2ccccc2 ethanol OCC 1.150 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenylacetic+acid&solvent=ethanol Clc1ccc(NC(=O)N(C)C)cc1Cl.CCO 2012-05-16T19:28:46Z 2280 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl ethanol CCO 0.158 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=ethanol c1c(c(cc(c1C)C)C)C.CCO 2012-05-16T19:28:46Z 2281 durene c1c(c(cc(c1C)C)C)C ethanol CCO 0.399 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=ethanol O=C\1C(/O)=C(\O/C=C/1)CC.CCO 2012-05-16T19:28:46Z 2282 ethyl maltol O=C\1C(/O)=C(\O/C=C/1)CC ethanol CCO 1.485 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethyl+maltol&solvent=ethanol O=C(OCC)c1ccc(O)cc1.CCO 2012-05-16T19:28:46Z 2283 ethylparaben O=C(OCC)c1ccc(O)cc1 ethanol CCO 2.268 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethylparaben&solvent=ethanol O=C3[C@]2(CC[C@@H]1[C@@]4(C(=C/C[C@H]1[C@@H]2C[C@H]3F)\CCCC4)C)C.CCO 2012-05-16T19:28:46Z 2284 fluasterone O=C3[C@]2(CC[C@@H]1[C@@]4(C(=C/C[C@H]1[C@@H]2C[C@H]3F)\CCCC4)C)C ethanol CCO 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluasterone&solvent=ethanol FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O.CCO 2012-05-16T19:28:46Z 2285 flufenamic acid FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O ethanol CCO 0.962 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=flufenamic+acid&solvent=ethanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.CCO 2012-05-16T19:28:46Z 2286 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 ethanol CCO 0.092 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=ethanol c1ccc-2c(c1)Cc3c2cccc3.CCO 2012-05-16T19:28:46Z 2287 fluorene c1ccc-2c(c1)Cc3c2cccc3 ethanol CCO 0.124 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=ethanol C(=C/C(=O)O)\C(=O)O.CCO 2012-05-16T19:28:46Z 2288 fumaric acid C(=C/C(=O)O)\C(=O)O ethanol CCO 0.314 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fumaric+acid&solvent=ethanol O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2.CCO 2012-05-16T19:28:46Z 2289 furosemide O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2 ethanol CCO 0.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furosemide&solvent=ethanol O=C(O)CN.CCO 2012-05-16T19:28:46Z 2290 glycine O=C(O)CN ethanol CCO 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=glycine&solvent=ethanol O=C(OC)CN.OCC 2012-05-16T19:28:46Z 2291 glycine methyl ester O=C(OC)CN ethanol OCC 0.190 amine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=glycine+methyl+ester&solvent=ethanol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.CCO 2012-05-16T19:28:46Z 2292 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F ethanol CCO 0.094 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=ethanol O=C2c3c(O[C@H](c1ccc(OC)c(O)c1)C2)cc(O)cc3O.CCO 2012-05-16T19:28:46Z 2293 hesperetin O=C2c3c(O[C@H](c1ccc(OC)c(O)c1)C2)cc(O)cc3O ethanol CCO 0.087 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hesperetin&solvent=ethanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.CCO 2012-05-16T19:28:46Z 2294 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl ethanol CCO 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=ethanol O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.CCO 2012-05-16T19:28:46Z 2295 hydrocortisone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 ethanol CCO 0.041 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrocortisone&solvent=ethanol c1cc(ccc1O)O.CCO 2012-05-16T19:28:46Z 2296 hydroquinone c1cc(ccc1O)O ethanol CCO 2.974 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydroquinone&solvent=ethanol O=C(O)C(c1ccc(cc1)CC(C)C)C.OCC 2012-05-16T19:28:46Z 2297 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C ethanol OCC 1.495 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=ethanol O=C/3Oc2c(OC\C=C(/C)C)c1occc1cc2\C=C\3.CCO 2012-05-16T19:28:46Z 2298 imperatorin O=C/3Oc2c(OC\C=C(/C)C)c1occc1cc2\C=C\3 ethanol CCO 0.057 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=imperatorin&solvent=ethanol O=C(NN)c1ccncc1.CCO 2012-05-16T19:28:46Z 2299 isoniazid O=C(NN)c1ccncc1 ethanol CCO 0.083 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isoniazid&solvent=ethanol c1cnccc1C(=O)O.CCO 2012-05-16T19:28:46Z 2300 isonicotinic acid c1cnccc1C(=O)O ethanol CCO 0.010 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isonicotinic+acid&solvent=ethanol O=C(O)\C(=C)CC(=O)O.CCO 2012-05-16T19:28:46Z 2301 itaconic acid O=C(O)\C(=C)CC(=O)O ethanol CCO 1.264 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=itaconic+acid&solvent=ethanol CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.CCO 2012-05-16T19:28:46Z 2302 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O ethanol CCO 0.967 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=ethanol C(CC(=O)O)[C@@H](C(=O)O)N.CCO 2012-05-16T19:28:46Z 2303 L-glutamic acid C(CC(=O)O)[C@@H](C(=O)O)N ethanol CCO 0.001 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=L-glutamic+acid&solvent=ethanol c1ccc(cc1)C[C@@H](C(=O)O)N.CCO 2012-05-16T19:28:46Z 2304 L-phenylalanine c1ccc(cc1)C[C@@H](C(=O)O)N ethanol CCO 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=L-phenylalanine&solvent=ethanol O=C1/N=C(/N)\C=C/N1[C@@H]2O[C@@H](SC2)CO.CCO 2012-05-16T19:28:46Z 2305 lamivudine O=C1/N=C(/N)\C=C/N1[C@@H]2O[C@@H](SC2)CO ethanol CCO 0.370 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lamivudine&solvent=ethanol Clc2c(Cl)c(c1nnc(nc1N)N)ccc2.CCO 2012-05-16T19:28:46Z 2306 lamotrigine Clc2c(Cl)c(c1nnc(nc1N)N)ccc2 ethanol CCO 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lamotrigine&solvent=ethanol Clc3ccccc3C/2=N/C(O)C(=O)Nc1c\2cc(Cl)cc1.CCO 2012-05-16T19:28:46Z 2307 lorazepam Clc3ccccc3C/2=N/C(O)C(=O)Nc1c\2cc(Cl)cc1 ethanol CCO 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lorazepam&solvent=ethanol O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cc(O)cc3O.CCO 2012-05-16T19:28:46Z 2308 luteolin O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cc(O)cc3O ethanol CCO 0.031 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=luteolin&solvent=ethanol C(=CC(=O)O)C(=O)O.OCC 2012-05-16T19:28:46Z 2309 maleic acid C(=CC(=O)O)C(=O)O ethanol OCC 3.410 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=maleic+acid&solvent=ethanol Cc1cnc(s1)NC(=O)C\3=C(/O)c2ccccc2S(=O)(=O)N/3C.CCO 2012-05-16T19:28:46Z 2310 meloxicam Cc1cnc(s1)NC(=O)C\3=C(/O)c2ccccc2S(=O)(=O)N/3C ethanol CCO 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=ethanol O=C1N(C(=O)NC(=O)C1(CC)CC)C.CCO 2012-05-16T19:28:46Z 2311 metharbital O=C1N(C(=O)NC(=O)C1(CC)CC)C ethanol CCO 0.094 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=metharbital&solvent=ethanol COC(=O)c1ccc(cc1)O.CCO 2012-05-16T19:28:46Z 2312 methylparaben COC(=O)c1ccc(cc1)O ethanol CCO 2.151 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=ethanol N\C1=C\C(=N/C(=N)N1O)N2CCCCC2.CCO 2012-05-16T19:28:46Z 2313 minoxidil N\C1=C\C(=N/C(=N)N1O)N2CCCCC2 ethanol CCO 0.101 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=minoxidil&solvent=ethanol Clc1ccc(NC(=O)N(C)C)cc1.CCO 2012-05-16T19:28:46Z 2314 monuron Clc1ccc(NC(=O)N(C)C)cc1 ethanol CCO 0.191 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=ethanol CN(C)c1ccc(cc1)C=Nc2ccccc2.C(C)O 2012-05-16T19:28:46Z 2315 N-(4-Dimethylaminobenzylidene)aniline CN(C)c1ccc(cc1)C=Nc2ccccc2 ethanol C(C)O 0.107 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-(4-Dimethylaminobenzylidene)aniline&solvent=ethanol COc1ccc(cc1)C=Nc2ccccc2.C(C)O 2012-05-16T19:28:46Z 2316 N-(4-methoxybenzylidene)aniline COc1ccc(cc1)C=Nc2ccccc2 ethanol C(C)O 0.656 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-(4-methoxybenzylidene)aniline&solvent=ethanol C1(=CC=CC=C1)N(O)C(C2=CC(=C(C=C2)C)[N+](=O)[O-])=O.CCO 2012-05-16T19:28:46Z 2317 N-phenyl-4-methyl-3-nitrobenzohydroxamic acid C1(=CC=CC=C1)N(O)C(C2=CC(=C(C=C2)C)[N+](=O)[O-])=O ethanol CCO 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenyl-4-methyl-3-nitrobenzohydroxamic+acid&solvent=ethanol [O-][N+](=O)c2ccc(C(=O)N(O)c1ccccc1)cc2.CCO 2012-05-16T19:28:46Z 2318 N-phenyl-4-nitrobenzohydroxamic acid [O-][N+](=O)c2ccc(C(=O)N(O)c1ccccc1)cc2 ethanol CCO 0.150 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenyl-4-nitrobenzohydroxamic+acid&solvent=ethanol O=C(N(O)c1ccccc1)c2ccccc2.CCO 2012-05-16T19:28:46Z 2319 N-phenylbenzohydroxamic acid O=C(N(O)c1ccccc1)c2ccccc2 ethanol CCO 0.100 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenylbenzohydroxamic+acid&solvent=ethanol Oc1ccc(cc1OC)C=Nc2ccccc2.C(C)O 2012-05-16T19:28:46Z 2320 N-vanillylideneaniline Oc1ccc(cc1OC)C=Nc2ccccc2 ethanol C(C)O 0.107 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-vanillylideneaniline&solvent=ethanol O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.CCO 2012-05-16T19:28:46Z 2321 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C ethanol CCO 0.294 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=ethanol O=C(O)c1cccnc1.OCC 2012-05-16T19:28:46Z 2322 nicotinic acid O=C(O)c1cccnc1 ethanol OCC 0.071 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nicotinic+acid&solvent=ethanol FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.CCO 2012-05-16T19:28:46Z 2323 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O ethanol CCO 0.243 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=ethanol O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC.CCO 2012-05-16T19:28:46Z 2324 norfloxacin O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC ethanol CCO 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=norfloxacin&solvent=ethanol Oc1c(cccc1OC)C=O.OCC 2012-05-16T19:28:46Z 2325 o-vanillin Oc1c(cccc1OC)C=O ethanol OCC 3.040 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=o-vanillin&solvent=ethanol O=C1c3c(N(\C=C1\C(=O)O)CC)cc2OCOc2c3.CCO 2012-05-16T19:28:46Z 2326 oxolinic acid O=C1c3c(N(\C=C1\C(=O)O)CC)cc2OCOc2c3 ethanol CCO 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=oxolinic+acid&solvent=ethanol O=S(=O)(O)c1ccc(cc1)C.OCC 2012-05-16T19:28:46Z 2327 p-toluenesulfonic acid O=S(=O)(O)c1ccc(cc1)C ethanol OCC 4.690 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-toluenesulfonic+acid&solvent=ethanol O=S(=O)(c1ccc(cc1)C)C[N+]#[C-].OCC 2012-05-16T19:28:46Z 2328 p-toluenesulfonylmethyl isocyanide O=S(=O)(c1ccc(cc1)C)C[N+]#[C-] ethanol OCC 0.180 isonitrile n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-toluenesulfonylmethyl+isocyanide&solvent=ethanol CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)O)(C)C.CCO 2012-05-16T19:28:46Z 2329 paclitaxel CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)O)(C)C ethanol CCO 0.046 multiple n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=paclitaxel&solvent=ethanol CCCCCCCCCCCCCCCC(=O)O.CCO 2012-05-16T19:28:46Z 2330 palmitic acid CCCCCCCCCCCCCCCC(=O)O ethanol CCO 0.361 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=palmitic+acid&solvent=ethanol O=C1NC(=O)NC(=O)C1(C(C)CCC)CC.CCO 2012-05-16T19:28:46Z 2331 pentobarbital O=C1NC(=O)NC(=O)C1(C(C)CCC)CC ethanol CCO 1.107 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pentobarbital&solvent=ethanol O=C(Nc1ccc(OCC)cc1)C.CCO 2012-05-16T19:28:46Z 2332 phenacetin O=C(Nc1ccc(OCC)cc1)C ethanol CCO 0.266 Non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=ethanol c3cc2ccc1ccccc1c2cc3.CCO 2012-05-16T19:28:46Z 2333 phenanthrene c3cc2ccc1ccccc1c2cc3 ethanol CCO 0.193 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=ethanol O=Cc2cc3c(c1c2cccc1)cccc3.OCC 2012-05-16T19:28:46Z 2334 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 ethanol OCC 0.100 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=ethanol O=C1NC(=O)NC(=O)C1(c2ccccc2)CC.CCO 2012-05-16T19:28:46Z 2335 phenobarbital O=C1NC(=O)NC(=O)C1(c2ccccc2)CC ethanol CCO 0.510 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenobarbital&solvent=ethanol c1ccc2c(c1)Nc3ccccc3S2.CCO 2012-05-16T19:28:46Z 2336 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 ethanol CCO 0.147 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=ethanol O=C(Oc1ccccc1)c2ccccc2O.CCO 2012-05-16T19:28:46Z 2337 phenyl salicylate O=C(Oc1ccccc1)c2ccccc2O ethanol CCO 1.859 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenyl+salicylate&solvent=ethanol O=C(O)Cc1ccccc1.CCO 2012-05-16T19:28:46Z 2338 phenylacetic acid O=C(O)Cc1ccccc1 ethanol CCO 4.989 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=ethanol O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2.CCO 2012-05-16T19:28:46Z 2339 phloretin O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2 ethanol CCO 0.583 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phloretin&solvent=ethanol O=C(O)CCCCCC(=O)O.CCO 2012-05-16T19:28:46Z 2340 pimelic acid O=C(O)CCCCCC(=O)O ethanol CCO 1.756 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimelic+acid&solvent=ethanol Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5.CCO 2012-05-16T19:28:46Z 2341 pimozide Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5 ethanol CCO 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimozide&solvent=ethanol O=Cc1ccc2OCOc2c1.OCC 2012-05-16T19:28:46Z 2342 piperonal O=Cc1ccc2OCOc2c1 ethanol OCC 4.990 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=piperonal&solvent=ethanol COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4.CCO 2012-05-16T19:28:46Z 2343 podophyllotoxin COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4 ethanol CCO 0.086 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=podophyllotoxin&solvent=ethanol O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C.CCO 2012-05-16T19:28:46Z 2344 prednisolone O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C ethanol CCO 0.067 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisolone&solvent=ethanol O=C(OCCC)c1ccc(O)cc1.CCO 2012-05-16T19:28:46Z 2345 propylparaben O=C(OCCC)c1ccc(O)cc1 ethanol CCO 2.505 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=propylparaben&solvent=ethanol O=C2c3c(O/C=C2/c1ccc(O)cc1)c(c(O)cc3)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO.CCO 2012-05-16T19:28:46Z 2346 puerarin O=C2c3c(O/C=C2/c1ccc(O)cc1)c(c(O)cc3)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO ethanol CCO 0.230 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=puerarin&solvent=ethanol c1cc2ccc3cccc4c3c2c(c1)cc4.CCO 2012-05-16T19:28:46Z 2347 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 ethanol CCO 0.054 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=ethanol Oc2cc(\C=C\c1ccc(O)cc1)cc(O)c2.CCO 2012-05-16T19:28:46Z 2348 resveratrol Oc2cc(\C=C\c1ccc(O)cc1)cc(O)c2 ethanol CCO 0.186 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=resveratrol&solvent=ethanol Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H](/C=C/C=C(/C(=O)NC(=C2O)/C(=C\NN5CCN(CC5)C6CCCC6)/C3=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O.CCO 2012-05-16T19:28:46Z 2349 rifapentine Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H](/C=C/C=C(/C(=O)NC(=C2O)/C(=C\NN5CCN(CC5)C6CCCC6)/C3=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O ethanol CCO 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=rifapentine&solvent=ethanol C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O.CCO 2012-05-16T19:28:46Z 2350 rutin C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O ethanol CCO 0.072 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=rutin&solvent=ethanol O=C(c1ccccc1O)N.CCO 2012-05-16T19:28:46Z 2351 salicylamide O=C(c1ccccc1O)N ethanol CCO 0.639 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=ethanol O=C(O)c1ccccc1O.OCC 2012-05-16T19:28:46Z 2352 salicylic acid O=C(O)c1ccccc1O ethanol OCC 2.093 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=ethanol O=C(O)\C=C\c1cc(OC)c(O)c(OC)c1.OCC 2012-05-16T19:28:46Z 2353 sinapic acid O=C(O)\C=C\c1cc(OC)c(O)c(OC)c1 ethanol OCC 0.790 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sinapic+acid&solvent=ethanol Cl[Na].OCC 2012-05-16T19:28:46Z 2354 sodium chloride Cl[Na] ethanol OCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sodium+chloride&solvent=ethanol O=C(O)CCCCCCCCCCCCCCCCC.OCC 2012-05-16T19:28:46Z 2355 stearic acid O=C(O)CCCCCCCCCCCCCCCCC ethanol OCC 0.105 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=stearic+acid&solvent=ethanol OC(CCC(O)=O)=O.OCC 2012-05-16T19:28:46Z 2356 succinic acid OC(CCC(O)=O)=O ethanol OCC 0.601 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=succinic+acid&solvent=ethanol Cl[C@H]2[C@H](O[C@H](O[C@@]1(O[C@@H]([C@@H](O)[C@@H]1O)CCl)CCl)[C@H](O)[C@H]2O)CO.CCO 2012-05-16T19:28:46Z 2357 sucralose Cl[C@H]2[C@H](O[C@H](O[C@@]1(O[C@@H]([C@@H](O)[C@@H]1O)CCl)CCl)[C@H](O)[C@H]2O)CO ethanol CCO 0.233 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sucralose&solvent=ethanol O=S(=O)(Nc1ncccn1)c2ccc(N)cc2.CCO 2012-05-16T19:28:46Z 2358 sulfadiazine O=S(=O)(Nc1ncccn1)c2ccc(N)cc2 ethanol CCO 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfadiazine&solvent=ethanol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CCO 2012-05-16T19:28:46Z 2359 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 ethanol CCO 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=ethanol O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2.CCO 2012-05-16T19:28:46Z 2360 sulpiride O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2 ethanol CCO 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulpiride&solvent=ethanol O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C.CCO 2012-05-16T19:28:46Z 2361 tenoxicam O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C ethanol CCO 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tenoxicam&solvent=ethanol c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.CCO 2012-05-16T19:28:46Z 2362 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 ethanol CCO 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=ethanol S1c3c(Sc2c1cccc2)cccc3.CCO 2012-05-16T19:28:46Z 2363 thianthrene S1c3c(Sc2c1cccc2)cccc3 ethanol CCO 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=ethanol O=C1c3c(Sc2c1cccc2)cccc3.CCO 2012-05-16T19:28:46Z 2364 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 ethanol CCO 0.012 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=ethanol C(=S)(N)N.CCO 2012-05-16T19:28:46Z 2365 thiourea C(=S)(N)N ethanol CCO 0.429 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiourea&solvent=ethanol O=S(=O)(c1ccc(cc1)C)NC(=O)NCCCC.CCO 2012-05-16T19:28:46Z 2366 tolbutamide O=S(=O)(c1ccc(cc1)C)NC(=O)NCCCC ethanol CCO 0.279 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tolbutamide&solvent=ethanol c1ccc(cc1)/C=C/c2ccccc2.CCO 2012-05-16T19:28:46Z 2367 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 ethanol CCO 0.054 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=ethanol CC(C)(C)NC(=O)C(c1ccc2OCOc2c1)N(Cc3ccc(C)o3)C(=O)CNC(=O)OC(C)(C)C.OCC 2012-05-16T19:28:46Z 2368 UCExp216-3A CC(C)(C)NC(=O)C(c1ccc2OCOc2c1)N(Cc3ccc(C)o3)C(=O)CNC(=O)OC(C)(C)C ethanol OCC 0.030 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=UCExp216-3A&solvent=ethanol Oc1ccc(cc1OC)/C=N/c2ccccc2.OCC 2012-05-16T19:28:46Z 2369 UCexp262-1 Oc1ccc(cc1OC)/C=N/c2ccccc2 ethanol OCC 0.070 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=UCexp262-1&solvent=ethanol CC(C)(C)NC(=O)C(N(CCCCCCC)C(=O)\C=C\C)c2cc3ccccc3c1ccccc12.OCC 2012-05-16T19:28:46Z 2370 Ugi product 148B CC(C)(C)NC(=O)C(N(CCCCCCC)C(=O)\C=C\C)c2cc3ccccc3c1ccccc12 ethanol OCC 0.000 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+148B&solvent=ethanol CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23.OCC 2012-05-16T19:28:46Z 2371 Ugi product 150D(UC) CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23 ethanol OCC 0.040 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+150D(UC)&solvent=ethanol O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC.OCC 2012-05-16T19:28:46Z 2372 Ugi product 176C (UC) O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC ethanol OCC 0.010 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+176C+(UC)&solvent=ethanol O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C.OCC 2012-05-16T19:28:46Z 2373 Ugi product 206B(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C ethanol OCC 0.017 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+206B(UC)&solvent=ethanol Clc5ccc(CC(=O)N(Cc1ccccc1)C(c3cc4ccccc4c2ccccc23)C(=O)NCCCC)cc5.OCC 2012-05-16T19:28:46Z 2374 Ugi product 215F(UC) Clc5ccc(CC(=O)N(Cc1ccccc1)C(c3cc4ccccc4c2ccccc23)C(=O)NCCCC)cc5 ethanol OCC 0.060 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+215F(UC)&solvent=ethanol Cc1ccc(o1)CC(C(c2ccc(c(c2)OC)OC)C(=O)NC(C)(C)C)C(=O)CNC(=O)OC(C)(C)C.OCC 2012-05-16T19:28:46Z 2375 Ugi Product 216-4A Cc1ccc(o1)CC(C(c2ccc(c(c2)OC)OC)C(=O)NC(C)(C)C)C(=O)CNC(=O)OC(C)(C)C ethanol OCC 0.070 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+Product+216-4A&solvent=ethanol c1ccc(cc1)CN(C(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)NC3CCCCC3)C(=O)C#Cc4ccccc4.OCC 2012-05-16T19:28:46Z 2376 Ugi product 234 c1ccc(cc1)CN(C(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)NC3CCCCC3)C(=O)C#Cc4ccccc4 ethanol OCC 0.230 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+234&solvent=ethanol O=C(O)CCCCCCCCCC.OCC 2012-05-16T19:28:46Z 2377 undecanoic acid O=C(O)CCCCCCCCCC ethanol OCC 3.940 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=undecanoic+acid&solvent=ethanol Oc1ccc(cc1OC)C=O.OCC 2012-05-16T19:28:46Z 2378 vanillin Oc1ccc(cc1OC)C=O ethanol OCC 2.470 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=vanillin&solvent=ethanol COc1cc(ccc1OC)C=O.OCC 2012-05-16T19:28:46Z 2379 veratraldehyde COc1cc(ccc1OC)C=O ethanol OCC 5.490 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=veratraldehyde&solvent=ethanol O2c1ccccc1Cc3c2cccc3.OCC 2012-05-16T19:28:46Z 2380 xanthene O2c1ccccc1Cc3c2cccc3 ethanol OCC 0.100 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=ethanol O=C(O)c2ccc1c(cccc1)c2.CCO.O 2012-05-16T19:28:46Z 2381 2-naphthoic acid O=C(O)c2ccc1c(cccc1)c2 ethanol/water(10:90)vol CCO.O 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthoic+acid&solvent=ethanol/water(10:90)vol Clc2cc(Cl)cc(Cl)c2c1c(Cl)cc(Cl)cc1Cl.CCO.O 2012-05-16T19:28:46Z 2382 2,2',4,4',6,6'-hexachlorobiphenyl Clc2cc(Cl)cc(Cl)c2c1c(Cl)cc(Cl)cc1Cl ethanol/water(10:90)vol CCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,2',4,4',6,6'-hexachlorobiphenyl&solvent=ethanol/water(10:90)vol Clc2cc(Cl)cc(Cl)c2c1ccccc1.CCO.O 2012-05-16T19:28:46Z 2383 2,4,6-trichlorobiphenyl Clc2cc(Cl)cc(Cl)c2c1ccccc1 ethanol/water(10:90)vol CCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,4,6-trichlorobiphenyl&solvent=ethanol/water(10:90)vol O=C(c1ccc(N)cc1)NC.CCO.O 2012-05-16T19:28:46Z 2384 4-amino-N-methylbenzamide O=C(c1ccc(N)cc1)NC ethanol/water(10:90)vol CCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-amino-N-methylbenzamide&solvent=ethanol/water(10:90)vol Clc2ccc(c1ccccc1)cc2.CCO.O 2012-05-16T19:28:46Z 2385 4-chlorobiphenyl Clc2ccc(c1ccccc1)cc2 ethanol/water(10:90)vol CCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobiphenyl&solvent=ethanol/water(10:90)vol O=C(N)Cc1ccc(O)cc1.CCO.O 2012-05-16T19:28:46Z 2386 4-hydroxybenzeneacetamide O=C(N)Cc1ccc(O)cc1 ethanol/water(10:90)vol CCO.O 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzeneacetamide&solvent=ethanol/water(10:90)vol CC(=O)Nc1ccc(cc1)O.CCO.O 2012-05-16T19:28:46Z 2387 acetaminophen CC(=O)Nc1ccc(cc1)O ethanol/water(10:90)vol CCO.O 0.137 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=ethanol/water(10:90)vol O=C(Nc1ccccc1)C.CCO.O 2012-05-16T19:28:46Z 2388 acetanilide O=C(Nc1ccccc1)C ethanol/water(10:90)vol CCO.O 0.060 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=ethanol/water(10:90)vol O=C(OCC)c1ccc(N)cc1.CCO.O 2012-05-16T19:28:46Z 2389 benzocaine O=C(OCC)c1ccc(N)cc1 ethanol/water(10:90)vol CCO.O 0.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=ethanol/water(10:90)vol O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C.CCO.O 2012-05-16T19:28:46Z 2390 budesonide O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C ethanol/water(10:90)vol CCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=budesonide&solvent=ethanol/water(10:90)vol Cn1cnc2c1c(=O)n(c(=O)n2C)C.CCO.O 2012-05-16T19:28:46Z 2391 caffeine Cn1cnc2c1c(=O)n(c(=O)n2C)C ethanol/water(10:90)vol CCO.O 0.164 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caffeine&solvent=ethanol/water(10:90)vol O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2.CCO.O 2012-05-16T19:28:46Z 2392 furosemide O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2 ethanol/water(10:90)vol CCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furosemide&solvent=ethanol/water(10:90)vol O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.CCO.O 2012-05-16T19:28:46Z 2393 hydrocortisone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 ethanol/water(10:90)vol CCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrocortisone&solvent=ethanol/water(10:90)vol O=C(Nc1ccc(cc1)C(=O)OC)C.CCO.O 2012-05-16T19:28:46Z 2394 methyl 4-acetamidobenzoate O=C(Nc1ccc(cc1)C(=O)OC)C ethanol/water(10:90)vol CCO.O 0.019 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-acetamidobenzoate&solvent=ethanol/water(10:90)vol COC(=O)c1ccc(cc1)O.CCO.O 2012-05-16T19:28:46Z 2395 methyl 4-hydroxybenzoate COC(=O)c1ccc(cc1)O ethanol/water(10:90)vol CCO.O 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-hydroxybenzoate&solvent=ethanol/water(10:90)vol O=C(OC)c1ccc(N(C)C)cc1.CCO.O 2012-05-16T19:28:46Z 2396 methyl p-(dimethylamino)benzoate O=C(OC)c1ccc(N(C)C)cc1 ethanol/water(10:90)vol CCO.O 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-(dimethylamino)benzoate&solvent=ethanol/water(10:90)vol O=C(Oc1ccc(cc1)C(=O)OC)C.CCO.O 2012-05-16T19:28:46Z 2397 methyl p-acetoxybenzoate O=C(Oc1ccc(cc1)C(=O)OC)C ethanol/water(10:90)vol CCO.O 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-acetoxybenzoate&solvent=ethanol/water(10:90)vol O=C(OC)c1ccc(N)cc1.CCO.O 2012-05-16T19:28:46Z 2398 methyl p-aminobenzoate O=C(OC)c1ccc(N)cc1 ethanol/water(10:90)vol CCO.O 0.167 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-aminobenzoate&solvent=ethanol/water(10:90)vol O=C(OC)c1ccc(OC)cc1.CCO.O 2012-05-16T19:28:46Z 2399 methyl p-methoxybenzoate O=C(OC)c1ccc(OC)cc1 ethanol/water(10:90)vol CCO.O 0.057 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-methoxybenzoate&solvent=ethanol/water(10:90)vol O=C(Nc1ccccc1)C.CCO.O 2012-05-16T19:28:46Z 2400 N-phenylacetamide O=C(Nc1ccccc1)C ethanol/water(10:90)vol CCO.O 0.096 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenylacetamide&solvent=ethanol/water(10:90)vol c1ccc2ccccc2c1.CCO.O 2012-05-16T19:28:46Z 2401 naphthalene c1ccc2ccccc2c1 ethanol/water(10:90)vol CCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=ethanol/water(10:90)vol FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.CCO.O 2012-05-16T19:28:46Z 2402 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O ethanol/water(10:90)vol CCO.O 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=ethanol/water(10:90)vol O=C(Nc1ccc(OCC)cc1)C.CCO.O 2012-05-16T19:28:46Z 2403 phenacetin O=C(Nc1ccc(OCC)cc1)C ethanol/water(10:90)vol CCO.O 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=ethanol/water(10:90)vol O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C.CCO.O 2012-05-16T19:28:46Z 2404 prednisolone O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C ethanol/water(10:90)vol CCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisolone&solvent=ethanol/water(10:90)vol c1ccc(c(c1)C(=O)O)O.CCO.O 2012-05-16T19:28:46Z 2405 salicylic acid c1ccc(c(c1)C(=O)O)O ethanol/water(10:90)vol CCO.O 0.021 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=ethanol/water(10:90)vol O=C(O)c2ccc1c(cccc1)c2.CCO.O 2012-05-16T19:28:46Z 2406 2-naphthoic acid O=C(O)c2ccc1c(cccc1)c2 ethanol/water(20:80)vol CCO.O 0.001 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthoic+acid&solvent=ethanol/water(20:80)vol Clc2cc(Cl)cc(Cl)c2c1c(Cl)cc(Cl)cc1Cl.CCO.O 2012-05-16T19:28:46Z 2407 2,2',4,4',6,6'-hexachlorobiphenyl Clc2cc(Cl)cc(Cl)c2c1c(Cl)cc(Cl)cc1Cl ethanol/water(20:80)vol CCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,2',4,4',6,6'-hexachlorobiphenyl&solvent=ethanol/water(20:80)vol Clc2cc(Cl)cc(Cl)c2c1ccccc1.CCO.O 2012-05-16T19:28:46Z 2408 2,4,6-trichlorobiphenyl Clc2cc(Cl)cc(Cl)c2c1ccccc1 ethanol/water(20:80)vol CCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,4,6-trichlorobiphenyl&solvent=ethanol/water(20:80)vol O=C(c1ccc(N)cc1)NC.CCO.O 2012-05-16T19:28:46Z 2409 4-amino-N-methylbenzamide O=C(c1ccc(N)cc1)NC ethanol/water(20:80)vol CCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-amino-N-methylbenzamide&solvent=ethanol/water(20:80)vol Clc2ccc(c1ccccc1)cc2.CCO.O 2012-05-16T19:28:46Z 2410 4-chlorobiphenyl Clc2ccc(c1ccccc1)cc2 ethanol/water(20:80)vol CCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobiphenyl&solvent=ethanol/water(20:80)vol O=C(N)Cc1ccc(O)cc1.CCO.O 2012-05-16T19:28:46Z 2411 4-hydroxybenzeneacetamide O=C(N)Cc1ccc(O)cc1 ethanol/water(20:80)vol CCO.O 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzeneacetamide&solvent=ethanol/water(20:80)vol CC(=O)Nc1ccc(cc1)O.CCO.O 2012-05-16T19:28:46Z 2412 acetaminophen CC(=O)Nc1ccc(cc1)O ethanol/water(20:80)vol CCO.O 0.221 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=ethanol/water(20:80)vol O=C(Nc1ccccc1)C.CCO.O 2012-05-16T19:28:46Z 2413 acetanilide O=C(Nc1ccccc1)C ethanol/water(20:80)vol CCO.O 0.124 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=ethanol/water(20:80)vol O=C(OCC)c1ccc(N)cc1.CCO.O 2012-05-16T19:28:46Z 2414 benzocaine O=C(OCC)c1ccc(N)cc1 ethanol/water(20:80)vol CCO.O 0.133 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=ethanol/water(20:80)vol O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C.CCO.O 2012-05-16T19:28:46Z 2415 budesonide O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C ethanol/water(20:80)vol CCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=budesonide&solvent=ethanol/water(20:80)vol Cn1cnc2c1c(=O)n(c(=O)n2C)C.CCO.O 2012-05-16T19:28:46Z 2416 caffeine Cn1cnc2c1c(=O)n(c(=O)n2C)C ethanol/water(20:80)vol CCO.O 0.229 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caffeine&solvent=ethanol/water(20:80)vol O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2.CCO.O 2012-05-16T19:28:46Z 2417 furosemide O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2 ethanol/water(20:80)vol CCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furosemide&solvent=ethanol/water(20:80)vol O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.CCO.O 2012-05-16T19:28:46Z 2418 hydrocortisone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 ethanol/water(20:80)vol CCO.O 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrocortisone&solvent=ethanol/water(20:80)vol O=C(Nc1ccc(cc1)C(=O)OC)C.CCO.O 2012-05-16T19:28:46Z 2419 methyl 4-acetamidobenzoate O=C(Nc1ccc(cc1)C(=O)OC)C ethanol/water(20:80)vol CCO.O 0.034 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-acetamidobenzoate&solvent=ethanol/water(20:80)vol COC(=O)c1ccc(cc1)O.CCO.O 2012-05-16T19:28:46Z 2420 methyl 4-hydroxybenzoate COC(=O)c1ccc(cc1)O ethanol/water(20:80)vol CCO.O 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-hydroxybenzoate&solvent=ethanol/water(20:80)vol O=C(OC)c1ccc(N(C)C)cc1.CCO.O 2012-05-16T19:28:46Z 2421 methyl p-(dimethylamino)benzoate O=C(OC)c1ccc(N(C)C)cc1 ethanol/water(20:80)vol CCO.O 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-(dimethylamino)benzoate&solvent=ethanol/water(20:80)vol O=C(Oc1ccc(cc1)C(=O)OC)C.CCO.O 2012-05-16T19:28:46Z 2422 methyl p-acetoxybenzoate O=C(Oc1ccc(cc1)C(=O)OC)C ethanol/water(20:80)vol CCO.O 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-acetoxybenzoate&solvent=ethanol/water(20:80)vol O=C(OC)c1ccc(N)cc1.CCO.O 2012-05-16T19:28:46Z 2423 methyl p-aminobenzoate O=C(OC)c1ccc(N)cc1 ethanol/water(20:80)vol CCO.O 0.231 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-aminobenzoate&solvent=ethanol/water(20:80)vol O=C(OC)c1ccc(OC)cc1.CCO.O 2012-05-16T19:28:46Z 2424 methyl p-methoxybenzoate O=C(OC)c1ccc(OC)cc1 ethanol/water(20:80)vol CCO.O 0.084 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-methoxybenzoate&solvent=ethanol/water(20:80)vol O=C(Nc1ccccc1)C.CCO.O 2012-05-16T19:28:46Z 2425 N-phenylacetamide O=C(Nc1ccccc1)C ethanol/water(20:80)vol CCO.O 0.129 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenylacetamide&solvent=ethanol/water(20:80)vol c1ccc2ccccc2c1.CCO.O 2012-05-16T19:28:46Z 2426 naphthalene c1ccc2ccccc2c1 ethanol/water(20:80)vol CCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=ethanol/water(20:80)vol FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.CCO.O 2012-05-16T19:28:46Z 2427 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O ethanol/water(20:80)vol CCO.O 0.001 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=ethanol/water(20:80)vol O=C(Nc1ccc(OCC)cc1)C.CCO.O 2012-05-16T19:28:46Z 2428 phenacetin O=C(Nc1ccc(OCC)cc1)C ethanol/water(20:80)vol CCO.O 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=ethanol/water(20:80)vol O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C.CCO.O 2012-05-16T19:28:46Z 2429 prednisolone O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C ethanol/water(20:80)vol CCO.O 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisolone&solvent=ethanol/water(20:80)vol c1ccc(c(c1)C(=O)O)O.CCO.O 2012-05-16T19:28:46Z 2430 salicylic acid c1ccc(c(c1)C(=O)O)O ethanol/water(20:80)vol CCO.O 0.032 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=ethanol/water(20:80)vol O=C(O)c2ccc1c(cccc1)c2.CCO.O 2012-05-16T19:28:46Z 2431 2-naphthoic acid O=C(O)c2ccc1c(cccc1)c2 ethanol/water(30:70)vol CCO.O 0.003 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthoic+acid&solvent=ethanol/water(30:70)vol O=C(c1ccc(N)cc1)NC.CCO.O 2012-05-16T19:28:46Z 2432 4-amino-N-methylbenzamide O=C(c1ccc(N)cc1)NC ethanol/water(30:70)vol CCO.O 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-amino-N-methylbenzamide&solvent=ethanol/water(30:70)vol O=C(N)Cc1ccc(O)cc1.CCO.O 2012-05-16T19:28:46Z 2433 4-hydroxybenzeneacetamide O=C(N)Cc1ccc(O)cc1 ethanol/water(30:70)vol CCO.O 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzeneacetamide&solvent=ethanol/water(30:70)vol CC(=O)Nc1ccc(cc1)O.CCO.O 2012-05-16T19:28:46Z 2434 acetaminophen CC(=O)Nc1ccc(cc1)O ethanol/water(30:70)vol CCO.O 0.422 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=ethanol/water(30:70)vol O=C(Nc1ccccc1)C.CCO.O 2012-05-16T19:28:46Z 2435 acetanilide O=C(Nc1ccccc1)C ethanol/water(30:70)vol CCO.O 0.244 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=ethanol/water(30:70)vol O=C(OCC)c1ccc(N)cc1.CCO.O 2012-05-16T19:28:46Z 2436 benzocaine O=C(OCC)c1ccc(N)cc1 ethanol/water(30:70)vol CCO.O 0.181 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=ethanol/water(30:70)vol O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C.CCO.O 2012-05-16T19:28:46Z 2437 budesonide O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C ethanol/water(30:70)vol CCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=budesonide&solvent=ethanol/water(30:70)vol Cn1cnc2c1c(=O)n(c(=O)n2C)C.CCO.O 2012-05-16T19:28:46Z 2438 caffeine Cn1cnc2c1c(=O)n(c(=O)n2C)C ethanol/water(30:70)vol CCO.O 0.293 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caffeine&solvent=ethanol/water(30:70)vol O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2.CCO.O 2012-05-16T19:28:46Z 2439 furosemide O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2 ethanol/water(30:70)vol CCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furosemide&solvent=ethanol/water(30:70)vol O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.CCO.O 2012-05-16T19:28:46Z 2440 hydrocortisone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 ethanol/water(30:70)vol CCO.O 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrocortisone&solvent=ethanol/water(30:70)vol O=C(Nc1ccc(cc1)C(=O)OC)C.CCO.O 2012-05-16T19:28:46Z 2441 methyl 4-acetamidobenzoate O=C(Nc1ccc(cc1)C(=O)OC)C ethanol/water(30:70)vol CCO.O 0.102 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-acetamidobenzoate&solvent=ethanol/water(30:70)vol COC(=O)c1ccc(cc1)O.CCO.O 2012-05-16T19:28:46Z 2442 methyl 4-hydroxybenzoate COC(=O)c1ccc(cc1)O ethanol/water(30:70)vol CCO.O 0.044 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-hydroxybenzoate&solvent=ethanol/water(30:70)vol O=C(OC)c1ccc(N(C)C)cc1.CCO.O 2012-05-16T19:28:46Z 2443 methyl p-(dimethylamino)benzoate O=C(OC)c1ccc(N(C)C)cc1 ethanol/water(30:70)vol CCO.O 0.064 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-(dimethylamino)benzoate&solvent=ethanol/water(30:70)vol O=C(Oc1ccc(cc1)C(=O)OC)C.CCO.O 2012-05-16T19:28:46Z 2444 methyl p-acetoxybenzoate O=C(Oc1ccc(cc1)C(=O)OC)C ethanol/water(30:70)vol CCO.O 0.029 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-acetoxybenzoate&solvent=ethanol/water(30:70)vol O=C(OC)c1ccc(N)cc1.CCO.O 2012-05-16T19:28:46Z 2445 methyl p-aminobenzoate O=C(OC)c1ccc(N)cc1 ethanol/water(30:70)vol CCO.O 4.485 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-aminobenzoate&solvent=ethanol/water(30:70)vol O=C(OC)c1ccc(OC)cc1.CCO.O 2012-05-16T19:28:46Z 2446 methyl p-methoxybenzoate O=C(OC)c1ccc(OC)cc1 ethanol/water(30:70)vol CCO.O 0.210 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-methoxybenzoate&solvent=ethanol/water(30:70)vol O=C(Nc1ccccc1)C.CCO.O 2012-05-16T19:28:46Z 2447 N-phenylacetamide O=C(Nc1ccccc1)C ethanol/water(30:70)vol CCO.O 0.186 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenylacetamide&solvent=ethanol/water(30:70)vol c1ccc2ccccc2c1.CCO.O 2012-05-16T19:28:46Z 2448 naphthalene c1ccc2ccccc2c1 ethanol/water(30:70)vol CCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=ethanol/water(30:70)vol FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.CCO.O 2012-05-16T19:28:46Z 2449 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O ethanol/water(30:70)vol CCO.O 0.001 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=ethanol/water(30:70)vol O=C(Nc1ccc(OCC)cc1)C.CCO.O 2012-05-16T19:28:46Z 2450 phenacetin O=C(Nc1ccc(OCC)cc1)C ethanol/water(30:70)vol CCO.O 0.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=ethanol/water(30:70)vol O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C.CCO.O 2012-05-16T19:28:46Z 2451 prednisolone O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C ethanol/water(30:70)vol CCO.O 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisolone&solvent=ethanol/water(30:70)vol c1ccc(c(c1)C(=O)O)O.CCO.O 2012-05-16T19:28:46Z 2452 salicylic acid c1ccc(c(c1)C(=O)O)O ethanol/water(30:70)vol CCO.O 0.081 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=ethanol/water(30:70)vol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CCO.O 2012-05-16T19:28:46Z 2453 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 ethanol/water(30:70)vol CCO.O 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=ethanol/water(30:70)vol O=C(O)c2ccc1c(cccc1)c2.CCO.O 2012-05-16T19:28:46Z 2454 2-naphthoic acid O=C(O)c2ccc1c(cccc1)c2 ethanol/water(40:60)vol CCO.O 0.010 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthoic+acid&solvent=ethanol/water(40:60)vol O=C(c1ccc(N)cc1)NC.CCO.O 2012-05-16T19:28:46Z 2455 4-amino-N-methylbenzamide O=C(c1ccc(N)cc1)NC ethanol/water(40:60)vol CCO.O 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-amino-N-methylbenzamide&solvent=ethanol/water(40:60)vol Clc2ccc(c1ccccc1)cc2.CCO.O 2012-05-16T19:28:46Z 2456 4-chlorobiphenyl Clc2ccc(c1ccccc1)cc2 ethanol/water(40:60)vol CCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobiphenyl&solvent=ethanol/water(40:60)vol O=C(N)Cc1ccc(O)cc1.CCO.O 2012-05-16T19:28:46Z 2457 4-hydroxybenzeneacetamide O=C(N)Cc1ccc(O)cc1 ethanol/water(40:60)vol CCO.O 0.041 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzeneacetamide&solvent=ethanol/water(40:60)vol CC(=O)Nc1ccc(cc1)O.CCO.O 2012-05-16T19:28:46Z 2458 acetaminophen CC(=O)Nc1ccc(cc1)O ethanol/water(40:60)vol CCO.O 0.644 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=ethanol/water(40:60)vol O=C(Nc1ccccc1)C.CCO.O 2012-05-16T19:28:46Z 2459 acetanilide O=C(Nc1ccccc1)C ethanol/water(40:60)vol CCO.O 0.490 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=ethanol/water(40:60)vol O=C(OCC)c1ccc(N)cc1.CCO.O 2012-05-16T19:28:46Z 2460 benzocaine O=C(OCC)c1ccc(N)cc1 ethanol/water(40:60)vol CCO.O 0.183 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=ethanol/water(40:60)vol O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C.CCO.O 2012-05-16T19:28:46Z 2461 budesonide O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C ethanol/water(40:60)vol CCO.O 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=budesonide&solvent=ethanol/water(40:60)vol Cn1cnc2c1c(=O)n(c(=O)n2C)C.CCO.O 2012-05-16T19:28:46Z 2462 caffeine Cn1cnc2c1c(=O)n(c(=O)n2C)C ethanol/water(40:60)vol CCO.O 0.372 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caffeine&solvent=ethanol/water(40:60)vol O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2.CCO.O 2012-05-16T19:28:46Z 2463 furosemide O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2 ethanol/water(40:60)vol CCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furosemide&solvent=ethanol/water(40:60)vol O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.CCO.O 2012-05-16T19:28:46Z 2464 hydrocortisone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 ethanol/water(40:60)vol CCO.O 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrocortisone&solvent=ethanol/water(40:60)vol O=C(Nc1ccc(cc1)C(=O)OC)C.CCO.O 2012-05-16T19:28:46Z 2465 methyl 4-acetamidobenzoate O=C(Nc1ccc(cc1)C(=O)OC)C ethanol/water(40:60)vol CCO.O 0.243 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-acetamidobenzoate&solvent=ethanol/water(40:60)vol COC(=O)c1ccc(cc1)O.CCO.O 2012-05-16T19:28:46Z 2466 methyl 4-hydroxybenzoate COC(=O)c1ccc(cc1)O ethanol/water(40:60)vol CCO.O 0.114 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-hydroxybenzoate&solvent=ethanol/water(40:60)vol O=C(OC)c1ccc(N(C)C)cc1.CCO.O 2012-05-16T19:28:46Z 2467 methyl p-(dimethylamino)benzoate O=C(OC)c1ccc(N(C)C)cc1 ethanol/water(40:60)vol CCO.O 0.105 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-(dimethylamino)benzoate&solvent=ethanol/water(40:60)vol O=C(Oc1ccc(cc1)C(=O)OC)C.CCO.O 2012-05-16T19:28:46Z 2468 methyl p-acetoxybenzoate O=C(Oc1ccc(cc1)C(=O)OC)C ethanol/water(40:60)vol CCO.O 0.086 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-acetoxybenzoate&solvent=ethanol/water(40:60)vol O=C(OC)c1ccc(N)cc1.CCO.O 2012-05-16T19:28:46Z 2469 methyl p-aminobenzoate O=C(OC)c1ccc(N)cc1 ethanol/water(40:60)vol CCO.O 0.720 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-aminobenzoate&solvent=ethanol/water(40:60)vol O=C(OC)c1ccc(OC)cc1.CCO.O 2012-05-16T19:28:46Z 2470 methyl p-methoxybenzoate O=C(OC)c1ccc(OC)cc1 ethanol/water(40:60)vol CCO.O 0.301 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-methoxybenzoate&solvent=ethanol/water(40:60)vol O=C(Nc1ccccc1)C.CCO.O 2012-05-16T19:28:46Z 2471 N-phenylacetamide O=C(Nc1ccccc1)C ethanol/water(40:60)vol CCO.O 0.276 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenylacetamide&solvent=ethanol/water(40:60)vol c1ccc2ccccc2c1.CCO.O 2012-05-16T19:28:46Z 2472 naphthalene c1ccc2ccccc2c1 ethanol/water(40:60)vol CCO.O 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=ethanol/water(40:60)vol FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.CCO.O 2012-05-16T19:28:46Z 2473 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O ethanol/water(40:60)vol CCO.O 0.002 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=ethanol/water(40:60)vol O=C(Nc1ccc(OCC)cc1)C.CCO.O 2012-05-16T19:28:46Z 2474 phenacetin O=C(Nc1ccc(OCC)cc1)C ethanol/water(40:60)vol CCO.O 0.063 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=ethanol/water(40:60)vol O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C.CCO.O 2012-05-16T19:28:46Z 2475 prednisolone O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C ethanol/water(40:60)vol CCO.O 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisolone&solvent=ethanol/water(40:60)vol c1ccc(c(c1)C(=O)O)O.CCO.O 2012-05-16T19:28:46Z 2476 salicylic acid c1ccc(c(c1)C(=O)O)O ethanol/water(40:60)vol CCO.O 0.251 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=ethanol/water(40:60)vol O=C(O)c2ccc1c(cccc1)c2.CCO.O 2012-05-16T19:28:46Z 2477 2-naphthoic acid O=C(O)c2ccc1c(cccc1)c2 ethanol/water(50:50)vol CCO.O 0.032 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthoic+acid&solvent=ethanol/water(50:50)vol O=C(c1ccc(N)cc1)NC.CCO.O 2012-05-16T19:28:46Z 2478 4-amino-N-methylbenzamide O=C(c1ccc(N)cc1)NC ethanol/water(50:50)vol CCO.O 0.054 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-amino-N-methylbenzamide&solvent=ethanol/water(50:50)vol O=C(N)Cc1ccc(O)cc1.CCO.O 2012-05-16T19:28:46Z 2479 4-hydroxybenzeneacetamide O=C(N)Cc1ccc(O)cc1 ethanol/water(50:50)vol CCO.O 0.096 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzeneacetamide&solvent=ethanol/water(50:50)vol CC(=O)Nc1ccc(cc1)O.CCO.O 2012-05-16T19:28:46Z 2480 acetaminophen CC(=O)Nc1ccc(cc1)O ethanol/water(50:50)vol CCO.O 0.939 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=ethanol/water(50:50)vol O=C(Nc1ccccc1)C.CCO.O 2012-05-16T19:28:46Z 2481 acetanilide O=C(Nc1ccccc1)C ethanol/water(50:50)vol CCO.O 0.696 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=ethanol/water(50:50)vol O=C(OCC)c1ccc(N)cc1.CCO.O 2012-05-16T19:28:46Z 2482 benzocaine O=C(OCC)c1ccc(N)cc1 ethanol/water(50:50)vol CCO.O 0.336 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=ethanol/water(50:50)vol O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C.CCO.O 2012-05-16T19:28:46Z 2483 budesonide O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C ethanol/water(50:50)vol CCO.O 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=budesonide&solvent=ethanol/water(50:50)vol Cn1cnc2c1c(=O)n(c(=O)n2C)C.CCO.O 2012-05-16T19:28:46Z 2484 caffeine Cn1cnc2c1c(=O)n(c(=O)n2C)C ethanol/water(50:50)vol CCO.O 0.398 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caffeine&solvent=ethanol/water(50:50)vol O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2.CCO.O 2012-05-16T19:28:46Z 2485 furosemide O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2 ethanol/water(50:50)vol CCO.O 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furosemide&solvent=ethanol/water(50:50)vol O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.CCO.O 2012-05-16T19:28:46Z 2486 hydrocortisone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 ethanol/water(50:50)vol CCO.O 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrocortisone&solvent=ethanol/water(50:50)vol O=C(Nc1ccc(cc1)C(=O)OC)C.CCO.O 2012-05-16T19:28:46Z 2487 methyl 4-acetamidobenzoate O=C(Nc1ccc(cc1)C(=O)OC)C ethanol/water(50:50)vol CCO.O 0.605 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-acetamidobenzoate&solvent=ethanol/water(50:50)vol COC(=O)c1ccc(cc1)O.CCO.O 2012-05-16T19:28:46Z 2488 methyl 4-hydroxybenzoate COC(=O)c1ccc(cc1)O ethanol/water(50:50)vol CCO.O 0.233 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-hydroxybenzoate&solvent=ethanol/water(50:50)vol O=C(OC)c1ccc(N(C)C)cc1.CCO.O 2012-05-16T19:28:46Z 2489 methyl p-(dimethylamino)benzoate O=C(OC)c1ccc(N(C)C)cc1 ethanol/water(50:50)vol CCO.O 0.207 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-(dimethylamino)benzoate&solvent=ethanol/water(50:50)vol O=C(OC)c1ccc(N)cc1.CCO.O 2012-05-16T19:28:46Z 2490 methyl p-aminobenzoate O=C(OC)c1ccc(N)cc1 ethanol/water(50:50)vol CCO.O 1.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-aminobenzoate&solvent=ethanol/water(50:50)vol O=C(OC)c1ccc(OC)cc1.CCO.O 2012-05-16T19:28:46Z 2491 methyl p-methoxybenzoate O=C(OC)c1ccc(OC)cc1 ethanol/water(50:50)vol CCO.O 0.430 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-methoxybenzoate&solvent=ethanol/water(50:50)vol O=C(Nc1ccccc1)C.CCO.O 2012-05-16T19:28:46Z 2492 N-phenylacetamide O=C(Nc1ccccc1)C ethanol/water(50:50)vol CCO.O 0.381 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenylacetamide&solvent=ethanol/water(50:50)vol c1ccc2ccccc2c1.CCO.O 2012-05-16T19:28:46Z 2493 naphthalene c1ccc2ccccc2c1 ethanol/water(50:50)vol CCO.O 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=ethanol/water(50:50)vol FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.CCO.O 2012-05-16T19:28:46Z 2494 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O ethanol/water(50:50)vol CCO.O 0.005 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=ethanol/water(50:50)vol O=C(Nc1ccc(OCC)cc1)C.CCO.O 2012-05-16T19:28:46Z 2495 phenacetin O=C(Nc1ccc(OCC)cc1)C ethanol/water(50:50)vol CCO.O 0.208 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=ethanol/water(50:50)vol O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C.CCO.O 2012-05-16T19:28:46Z 2496 prednisolone O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C ethanol/water(50:50)vol CCO.O 0.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisolone&solvent=ethanol/water(50:50)vol c1ccc(c(c1)C(=O)O)O.CCO.O 2012-05-16T19:28:46Z 2497 salicylic acid c1ccc(c(c1)C(=O)O)O ethanol/water(50:50)vol CCO.O 0.526 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=ethanol/water(50:50)vol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CCO.O 2012-05-16T19:28:46Z 2498 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 ethanol/water(50:50)vol CCO.O 0.040 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=ethanol/water(50:50)vol O=C(O)c2ccc1c(cccc1)c2.CCO.O 2012-05-16T19:28:46Z 2499 2-naphthoic acid O=C(O)c2ccc1c(cccc1)c2 ethanol/water(60:40)vol CCO.O 0.080 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthoic+acid&solvent=ethanol/water(60:40)vol O=C(c1ccc(N)cc1)NC.CCO.O 2012-05-16T19:28:46Z 2500 4-amino-N-methylbenzamide O=C(c1ccc(N)cc1)NC ethanol/water(60:40)vol CCO.O 0.102 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-amino-N-methylbenzamide&solvent=ethanol/water(60:40)vol Clc2ccc(c1ccccc1)cc2.CCO.O 2012-05-16T19:28:46Z 2501 4-chlorobiphenyl Clc2ccc(c1ccccc1)cc2 ethanol/water(60:40)vol CCO.O 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobiphenyl&solvent=ethanol/water(60:40)vol O=C(N)Cc1ccc(O)cc1.CCO.O 2012-05-16T19:28:46Z 2502 4-hydroxybenzeneacetamide O=C(N)Cc1ccc(O)cc1 ethanol/water(60:40)vol CCO.O 0.168 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzeneacetamide&solvent=ethanol/water(60:40)vol CC(=O)Nc1ccc(cc1)O.CCO.O 2012-05-16T19:28:46Z 2503 acetaminophen CC(=O)Nc1ccc(cc1)O ethanol/water(60:40)vol CCO.O 1.206 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=ethanol/water(60:40)vol O=C(Nc1ccccc1)C.CCO.O 2012-05-16T19:28:46Z 2504 acetanilide O=C(Nc1ccccc1)C ethanol/water(60:40)vol CCO.O 1.220 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=ethanol/water(60:40)vol O=C(OCC)c1ccc(N)cc1.CCO.O 2012-05-16T19:28:46Z 2505 benzocaine O=C(OCC)c1ccc(N)cc1 ethanol/water(60:40)vol CCO.O 0.657 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=ethanol/water(60:40)vol O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C.CCO.O 2012-05-16T19:28:46Z 2506 budesonide O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C ethanol/water(60:40)vol CCO.O 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=budesonide&solvent=ethanol/water(60:40)vol Cn1cnc2c1c(=O)n(c(=O)n2C)C.CCO.O 2012-05-16T19:28:46Z 2507 caffeine Cn1cnc2c1c(=O)n(c(=O)n2C)C ethanol/water(60:40)vol CCO.O 0.470 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caffeine&solvent=ethanol/water(60:40)vol O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2.CCO.O 2012-05-16T19:28:46Z 2508 furosemide O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2 ethanol/water(60:40)vol CCO.O 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furosemide&solvent=ethanol/water(60:40)vol O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.CCO.O 2012-05-16T19:28:46Z 2509 hydrocortisone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 ethanol/water(60:40)vol CCO.O 0.041 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrocortisone&solvent=ethanol/water(60:40)vol O=C(Nc1ccc(cc1)C(=O)OC)C.CCO.O 2012-05-16T19:28:46Z 2510 methyl 4-acetamidobenzoate O=C(Nc1ccc(cc1)C(=O)OC)C ethanol/water(60:40)vol CCO.O 0.961 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-acetamidobenzoate&solvent=ethanol/water(60:40)vol COC(=O)c1ccc(cc1)O.CCO.O 2012-05-16T19:28:46Z 2511 methyl 4-hydroxybenzoate COC(=O)c1ccc(cc1)O ethanol/water(60:40)vol CCO.O 0.382 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-hydroxybenzoate&solvent=ethanol/water(60:40)vol O=C(OC)c1ccc(N(C)C)cc1.CCO.O 2012-05-16T19:28:46Z 2512 methyl p-(dimethylamino)benzoate O=C(OC)c1ccc(N(C)C)cc1 ethanol/water(60:40)vol CCO.O 0.595 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-(dimethylamino)benzoate&solvent=ethanol/water(60:40)vol O=C(OC)c1ccc(N)cc1.CCO.O 2012-05-16T19:28:46Z 2513 methyl p-aminobenzoate O=C(OC)c1ccc(N)cc1 ethanol/water(60:40)vol CCO.O 1.268 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-aminobenzoate&solvent=ethanol/water(60:40)vol O=C(OC)c1ccc(OC)cc1.CCO.O 2012-05-16T19:28:46Z 2514 methyl p-methoxybenzoate O=C(OC)c1ccc(OC)cc1 ethanol/water(60:40)vol CCO.O 0.784 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-methoxybenzoate&solvent=ethanol/water(60:40)vol O=C(Nc1ccccc1)C.CCO.O 2012-05-16T19:28:46Z 2515 N-phenylacetamide O=C(Nc1ccccc1)C ethanol/water(60:40)vol CCO.O 0.489 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenylacetamide&solvent=ethanol/water(60:40)vol c1ccc2ccccc2c1.CCO.O 2012-05-16T19:28:46Z 2516 naphthalene c1ccc2ccccc2c1 ethanol/water(60:40)vol CCO.O 0.039 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=ethanol/water(60:40)vol O=C(Nc1ccc(OCC)cc1)C.CCO.O 2012-05-16T19:28:46Z 2517 phenacetin O=C(Nc1ccc(OCC)cc1)C ethanol/water(60:40)vol CCO.O 0.269 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=ethanol/water(60:40)vol O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C.CCO.O 2012-05-16T19:28:46Z 2518 prednisolone O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C ethanol/water(60:40)vol CCO.O 0.060 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisolone&solvent=ethanol/water(60:40)vol c1ccc(c(c1)C(=O)O)O.CCO.O 2012-05-16T19:28:46Z 2519 salicylic acid c1ccc(c(c1)C(=O)O)O ethanol/water(60:40)vol CCO.O 1.060 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=ethanol/water(60:40)vol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CCO.O 2012-05-16T19:28:46Z 2520 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 ethanol/water(60:40)vol CCO.O 0.056 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=ethanol/water(60:40)vol O=C(O)c2ccc1c(cccc1)c2.CCO.O 2012-05-16T19:28:46Z 2521 2-naphthoic acid O=C(O)c2ccc1c(cccc1)c2 ethanol/water(70:30)vol CCO.O 0.143 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthoic+acid&solvent=ethanol/water(70:30)vol O=C(c1ccc(N)cc1)NC.CCO.O 2012-05-16T19:28:46Z 2522 4-amino-N-methylbenzamide O=C(c1ccc(N)cc1)NC ethanol/water(70:30)vol CCO.O 0.175 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-amino-N-methylbenzamide&solvent=ethanol/water(70:30)vol O=C(N)Cc1ccc(O)cc1.CCO.O 2012-05-16T19:28:46Z 2523 4-hydroxybenzeneacetamide O=C(N)Cc1ccc(O)cc1 ethanol/water(70:30)vol CCO.O 0.270 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzeneacetamide&solvent=ethanol/water(70:30)vol CC(=O)Nc1ccc(cc1)O.CCO.O 2012-05-16T19:28:46Z 2524 acetaminophen CC(=O)Nc1ccc(cc1)O ethanol/water(70:30)vol CCO.O 1.322 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=ethanol/water(70:30)vol O=C(Nc1ccccc1)C.CCO.O 2012-05-16T19:28:46Z 2525 acetanilide O=C(Nc1ccccc1)C ethanol/water(70:30)vol CCO.O 1.566 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=ethanol/water(70:30)vol O=C(OCC)c1ccc(N)cc1.CCO.O 2012-05-16T19:28:46Z 2526 benzocaine O=C(OCC)c1ccc(N)cc1 ethanol/water(70:30)vol CCO.O 1.669 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=ethanol/water(70:30)vol O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C.CCO.O 2012-05-16T19:28:46Z 2527 budesonide O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C ethanol/water(70:30)vol CCO.O 0.041 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=budesonide&solvent=ethanol/water(70:30)vol Cn1cnc2c1c(=O)n(c(=O)n2C)C.CCO.O 2012-05-16T19:28:46Z 2528 caffeine Cn1cnc2c1c(=O)n(c(=O)n2C)C ethanol/water(70:30)vol CCO.O 0.428 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caffeine&solvent=ethanol/water(70:30)vol O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2.CCO.O 2012-05-16T19:28:46Z 2529 furosemide O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2 ethanol/water(70:30)vol CCO.O 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furosemide&solvent=ethanol/water(70:30)vol O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.CCO.O 2012-05-16T19:28:46Z 2530 hydrocortisone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 ethanol/water(70:30)vol CCO.O 0.063 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrocortisone&solvent=ethanol/water(70:30)vol O=C(Nc1ccc(cc1)C(=O)OC)C.CCO.O 2012-05-16T19:28:46Z 2531 methyl 4-acetamidobenzoate O=C(Nc1ccc(cc1)C(=O)OC)C ethanol/water(70:30)vol CCO.O 1.296 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-acetamidobenzoate&solvent=ethanol/water(70:30)vol COC(=O)c1ccc(cc1)O.CCO.O 2012-05-16T19:28:46Z 2532 methyl 4-hydroxybenzoate COC(=O)c1ccc(cc1)O ethanol/water(70:30)vol CCO.O 0.529 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-hydroxybenzoate&solvent=ethanol/water(70:30)vol O=C(OC)c1ccc(N(C)C)cc1.CCO.O 2012-05-16T19:28:46Z 2533 methyl p-(dimethylamino)benzoate O=C(OC)c1ccc(N(C)C)cc1 ethanol/water(70:30)vol CCO.O 0.797 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-(dimethylamino)benzoate&solvent=ethanol/water(70:30)vol O=C(OC)c1ccc(N)cc1.CCO.O 2012-05-16T19:28:46Z 2534 methyl p-aminobenzoate O=C(OC)c1ccc(N)cc1 ethanol/water(70:30)vol CCO.O 1.526 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-aminobenzoate&solvent=ethanol/water(70:30)vol O=C(OC)c1ccc(OC)cc1.CCO.O 2012-05-16T19:28:46Z 2535 methyl p-methoxybenzoate O=C(OC)c1ccc(OC)cc1 ethanol/water(70:30)vol CCO.O 1.134 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-methoxybenzoate&solvent=ethanol/water(70:30)vol O=C(Nc1ccccc1)C.CCO.O 2012-05-16T19:28:46Z 2536 N-phenylacetamide O=C(Nc1ccccc1)C ethanol/water(70:30)vol CCO.O 0.531 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenylacetamide&solvent=ethanol/water(70:30)vol c1ccc2ccccc2c1.CCO.O 2012-05-16T19:28:46Z 2537 naphthalene c1ccc2ccccc2c1 ethanol/water(70:30)vol CCO.O 0.077 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=ethanol/water(70:30)vol FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.CCO.O 2012-05-16T19:28:46Z 2538 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O ethanol/water(70:30)vol CCO.O 0.030 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=ethanol/water(70:30)vol O=C(Nc1ccc(OCC)cc1)C.CCO.O 2012-05-16T19:28:46Z 2539 phenacetin O=C(Nc1ccc(OCC)cc1)C ethanol/water(70:30)vol CCO.O 0.377 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=ethanol/water(70:30)vol O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C.CCO.O 2012-05-16T19:28:46Z 2540 prednisolone O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C ethanol/water(70:30)vol CCO.O 0.090 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisolone&solvent=ethanol/water(70:30)vol c1ccc(c(c1)C(=O)O)O.CCO.O 2012-05-16T19:28:46Z 2541 salicylic acid c1ccc(c(c1)C(=O)O)O ethanol/water(70:30)vol CCO.O 1.633 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=ethanol/water(70:30)vol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CCO.O 2012-05-16T19:28:46Z 2542 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 ethanol/water(70:30)vol CCO.O 0.077 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=ethanol/water(70:30)vol O=C(O)c2ccc1c(cccc1)c2.CCO.O 2012-05-16T19:28:46Z 2543 2-naphthoic acid O=C(O)c2ccc1c(cccc1)c2 ethanol/water(80:20)vol CCO.O 0.203 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthoic+acid&solvent=ethanol/water(80:20)vol Clc2ccc(c1ccccc1)cc2.CCO.O 2012-05-16T19:28:46Z 2544 4-chlorobiphenyl Clc2ccc(c1ccccc1)cc2 ethanol/water(80:20)vol CCO.O 0.095 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobiphenyl&solvent=ethanol/water(80:20)vol CC(=O)Nc1ccc(cc1)O.CCO.O 2012-05-16T19:28:46Z 2545 acetaminophen CC(=O)Nc1ccc(cc1)O ethanol/water(80:20)vol CCO.O 1.393 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=ethanol/water(80:20)vol O=C(Nc1ccccc1)C.CCO.O 2012-05-16T19:28:46Z 2546 acetanilide O=C(Nc1ccccc1)C ethanol/water(80:20)vol CCO.O 1.621 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=ethanol/water(80:20)vol O=C(OCC)c1ccc(N)cc1.CCO.O 2012-05-16T19:28:46Z 2547 benzocaine O=C(OCC)c1ccc(N)cc1 ethanol/water(80:20)vol CCO.O 1.930 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=ethanol/water(80:20)vol O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C.CCO.O 2012-05-16T19:28:46Z 2548 budesonide O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C ethanol/water(80:20)vol CCO.O 0.072 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=budesonide&solvent=ethanol/water(80:20)vol Cn1cnc2c1c(=O)n(c(=O)n2C)C.CCO.O 2012-05-16T19:28:46Z 2549 caffeine Cn1cnc2c1c(=O)n(c(=O)n2C)C ethanol/water(80:20)vol CCO.O 0.321 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caffeine&solvent=ethanol/water(80:20)vol O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2.CCO.O 2012-05-16T19:28:46Z 2550 furosemide O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2 ethanol/water(80:20)vol CCO.O 0.037 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furosemide&solvent=ethanol/water(80:20)vol O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.CCO.O 2012-05-16T19:28:46Z 2551 hydrocortisone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 ethanol/water(80:20)vol CCO.O 0.078 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrocortisone&solvent=ethanol/water(80:20)vol c1ccc2ccccc2c1.CCO.O 2012-05-16T19:28:46Z 2552 naphthalene c1ccc2ccccc2c1 ethanol/water(80:20)vol CCO.O 0.134 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=ethanol/water(80:20)vol O=C(Nc1ccc(OCC)cc1)C.CCO.O 2012-05-16T19:28:46Z 2553 phenacetin O=C(Nc1ccc(OCC)cc1)C ethanol/water(80:20)vol CCO.O 0.412 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=ethanol/water(80:20)vol O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C.CCO.O 2012-05-16T19:28:46Z 2554 prednisolone O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C ethanol/water(80:20)vol CCO.O 0.114 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisolone&solvent=ethanol/water(80:20)vol c1ccc(c(c1)C(=O)O)O.CCO.O 2012-05-16T19:28:46Z 2555 salicylic acid c1ccc(c(c1)C(=O)O)O ethanol/water(80:20)vol CCO.O 1.996 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=ethanol/water(80:20)vol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CCO.O 2012-05-16T19:28:46Z 2556 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 ethanol/water(80:20)vol CCO.O 0.078 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=ethanol/water(80:20)vol O=C(O)c2ccc1c(cccc1)c2.CCO.O 2012-05-16T19:28:46Z 2557 2-naphthoic acid O=C(O)c2ccc1c(cccc1)c2 ethanol/water(90:10)vol CCO.O 0.268 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthoic+acid&solvent=ethanol/water(90:10)vol CC(=O)Nc1ccc(cc1)O.CCO.O 2012-05-16T19:28:46Z 2558 acetaminophen CC(=O)Nc1ccc(cc1)O ethanol/water(90:10)vol CCO.O 1.295 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=ethanol/water(90:10)vol O=C(Nc1ccccc1)C.CCO.O 2012-05-16T19:28:46Z 2559 acetanilide O=C(Nc1ccccc1)C ethanol/water(90:10)vol CCO.O 1.649 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=ethanol/water(90:10)vol O=C(OCC)c1ccc(N)cc1.CCO.O 2012-05-16T19:28:46Z 2560 benzocaine O=C(OCC)c1ccc(N)cc1 ethanol/water(90:10)vol CCO.O 2.425 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=ethanol/water(90:10)vol O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C.CCO.O 2012-05-16T19:28:46Z 2561 budesonide O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C ethanol/water(90:10)vol CCO.O 0.081 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=budesonide&solvent=ethanol/water(90:10)vol Cn1cnc2c1c(=O)n(c(=O)n2C)C.CCO.O 2012-05-16T19:28:46Z 2562 caffeine Cn1cnc2c1c(=O)n(c(=O)n2C)C ethanol/water(90:10)vol CCO.O 0.158 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caffeine&solvent=ethanol/water(90:10)vol O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2.CCO.O 2012-05-16T19:28:46Z 2563 furosemide O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2 ethanol/water(90:10)vol CCO.O 0.053 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furosemide&solvent=ethanol/water(90:10)vol O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.CCO.O 2012-05-16T19:28:46Z 2564 hydrocortisone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 ethanol/water(90:10)vol CCO.O 0.064 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrocortisone&solvent=ethanol/water(90:10)vol CN(C)c1ccc(cc1)C=Nc2ccccc2.CCO 2012-05-16T19:28:46Z 2565 N-(4-Dimethylaminobenzylidene)aniline CN(C)c1ccc(cc1)C=Nc2ccccc2 ethanol/water(90:10)vol CCO 0.092 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-(4-Dimethylaminobenzylidene)aniline&solvent=ethanol/water(90:10)vol COc1ccc(cc1)C=Nc2ccccc2.CCO 2012-05-16T19:28:46Z 2566 N-(4-Methoxybenzylidene)aniline COc1ccc(cc1)C=Nc2ccccc2 ethanol/water(90:10)vol CCO 0.901 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-(4-Methoxybenzylidene)aniline&solvent=ethanol/water(90:10)vol c1ccc2ccccc2c1.CCO.O 2012-05-16T19:28:46Z 2567 naphthalene c1ccc2ccccc2c1 ethanol/water(90:10)vol CCO.O 0.257 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=ethanol/water(90:10)vol FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.CCO.O 2012-05-16T19:28:46Z 2568 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O ethanol/water(90:10)vol CCO.O 0.178 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=ethanol/water(90:10)vol O=C(Nc1ccc(OCC)cc1)C.CCO.O 2012-05-16T19:28:46Z 2569 phenacetin O=C(Nc1ccc(OCC)cc1)C ethanol/water(90:10)vol CCO.O 0.435 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=ethanol/water(90:10)vol O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C.CCO.O 2012-05-16T19:28:46Z 2570 prednisolone O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C ethanol/water(90:10)vol CCO.O 0.105 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisolone&solvent=ethanol/water(90:10)vol c1ccc(c(c1)C(=O)O)O.CCO.O 2012-05-16T19:28:46Z 2571 salicylic acid c1ccc(c(c1)C(=O)O)O ethanol/water(90:10)vol CCO.O 2.532 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=ethanol/water(90:10)vol Oc1ccccc1C=Nc2ccccc2.CCO 2012-05-16T19:28:46Z 2572 Salicylideneaniline Oc1ccccc1C=Nc2ccccc2 ethanol/water(90:10)vol CCO 0.517 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Salicylideneaniline&solvent=ethanol/water(90:10)vol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CCO.O 2012-05-16T19:28:46Z 2573 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 ethanol/water(90:10)vol CCO.O 0.057 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=ethanol/water(90:10)vol ClCc1ccc([N+]([O-])=O)cc1.CCOCC 2012-05-16T19:28:46Z 2574 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 ether CCOCC 2.240 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=ether O=C(O)Cn1nnnc1.O=C(OCC)C 2012-05-16T19:28:46Z 2575 1-H-tetrazole-1-acetic acid O=C(O)Cn1nnnc1 ethyl acetate O=C(OCC)C 0.158 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-H-tetrazole-1-acetic+acid&solvent=ethyl+acetate n1cnnc1.O=C(OCC)C 2012-05-16T19:28:46Z 2576 1,2,4-triazole n1cnnc1 ethyl acetate O=C(OCC)C 0.426 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,4-triazole&solvent=ethyl+acetate O=C(OCC)C1C(=O)CC(C(=O)C1)C(=O)OCC.O=C(OCC)C 2012-05-16T19:28:46Z 2577 1,4-cyclohexanedione-2,5-dicarboxylate O=C(OCC)C1C(=O)CC(C(=O)C1)C(=O)OCC ethyl acetate O=C(OCC)C 0.075 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-cyclohexanedione-2,5-dicarboxylate&solvent=ethyl+acetate O=C(/C1=C/C[C@@H]2[C@@]1(CC[C@@H]3[C@@]4(C(=C/C[C@@H]23)\C[C@@H](O)CC4)C)C)C.O=C(OCC)C 2012-05-16T19:28:46Z 2578 16-dehydropregnenolone O=C(/C1=C/C[C@@H]2[C@@]1(CC[C@@H]3[C@@]4(C(=C/C[C@@H]23)\C[C@@H](O)CC4)C)C)C ethyl acetate O=C(OCC)C 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=16-dehydropregnenolone&solvent=ethyl+acetate O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2.O=C(OCC)C 2012-05-16T19:28:46Z 2579 2-amino-5-nitrobenzophenone O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2 ethyl acetate O=C(OCC)C 0.308 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-amino-5-nitrobenzophenone&solvent=ethyl+acetate Clc1c(O)c(cc([N+]([O-])=O)c1O)[N+]([O-])=O.O=C(OCC)C 2012-05-16T19:28:46Z 2580 2-chloro-4,6-dinitroresorcinol Clc1c(O)c(cc([N+]([O-])=O)c1O)[N+]([O-])=O ethyl acetate O=C(OCC)C 0.450 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-4,6-dinitroresorcinol&solvent=ethyl+acetate c1cc(ncc1CCl)Cl.O=C(OCC)C 2012-05-16T19:28:46Z 2581 2-chloro-5-chloromethylpyridine c1cc(ncc1CCl)Cl ethyl acetate O=C(OCC)C 0.127 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-chloromethylpyridine&solvent=ethyl+acetate O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.O=C(OCC)C 2012-05-16T19:28:46Z 2582 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O ethyl acetate O=C(OCC)C 0.750 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=ethyl+acetate O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.O=C(OCC)C 2012-05-16T19:28:46Z 2583 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC ethyl acetate O=C(OCC)C 0.381 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=ethyl+acetate O=C(O)c1ccccc1OC.O=C(OCC)C 2012-05-16T19:28:46Z 2584 2-methoxybenzoic acid O=C(O)c1ccccc1OC ethyl acetate O=C(OCC)C 0.660 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=ethyl+acetate O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.O=C(OCC)C 2012-05-16T19:28:46Z 2585 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O ethyl acetate O=C(OCC)C 0.319 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=ethyl+acetate O=C(O)c1ccccc1C.O=C(OCC)C 2012-05-16T19:28:46Z 2586 2-methylbenzoic acid O=C(O)c1ccccc1C ethyl acetate O=C(OCC)C 1.490 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=ethyl+acetate O=C(N)C1CC1(C)C.CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2012-05-16T19:28:46Z 2587 2,2-dimethylcyclopropanecarboxamide O=C(N)C1CC1(C)C ethyl acetate CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 0.362 Non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,2-dimethylcyclopropanecarboxamide&solvent=ethyl+acetate CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-].O=C(OCC)C 2012-05-16T19:28:46Z 2588 2,3-dimethyl-2,3-dinitrobutane CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-] ethyl acetate O=C(OCC)C 0.038 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-dimethyl-2,3-dinitrobutane&solvent=ethyl+acetate O=C(O)c1cc(Cl)ccc1.O=C(OCC)C 2012-05-16T19:28:46Z 2589 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 ethyl acetate O=C(OCC)C 0.658 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=ethyl+acetate O=C(O)c1cc(O)ccc1.O=C(OCC)C 2012-05-16T19:28:46Z 2590 3-hydroxybenzoic acid O=C(O)c1cc(O)ccc1 ethyl acetate O=C(OCC)C 0.517 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-hydroxybenzoic+acid&solvent=ethyl+acetate O=C(O)c1cc(ccc1)C.O=C(OCC)C 2012-05-16T19:28:46Z 2591 3-methylbenzoic acid O=C(O)c1cc(ccc1)C ethyl acetate O=C(OCC)C 1.379 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=ethyl+acetate O=[N+]([O-])c1cc(C(=O)O)ccc1.O=C(OCC)C 2012-05-16T19:28:46Z 2592 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 ethyl acetate O=C(OCC)C 1.377 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=ethyl+acetate O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)O.O=C(OCC)C 2012-05-16T19:28:46Z 2593 3-nitrophthalic acid O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)O ethyl acetate O=C(OCC)C 0.098 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalic+acid&solvent=ethyl+acetate [O-][N+](=O)c1cccc2c1C(=O)NC2=O.O=C(OCC)C 2012-05-16T19:28:46Z 2594 3-nitrophthalimide [O-][N+](=O)c1cccc2c1C(=O)NC2=O ethyl acetate O=C(OCC)C 0.092 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalimide&solvent=ethyl+acetate O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.O=C(OCC)C 2012-05-16T19:28:46Z 2595 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O ethyl acetate O=C(OCC)C 0.492 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=ethyl+acetate O=C(O)c1ccc(N)cc1.CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2012-05-16T19:28:46Z 2596 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 ethyl acetate CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 0.585 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=ethyl+acetate O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.O=C(OCC)C 2012-05-16T19:28:46Z 2597 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O ethyl acetate O=C(OCC)C 0.360 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=ethyl+acetate O=C(O)c1ccc(Cl)cc1.O=C(OCC)C 2012-05-16T19:28:46Z 2598 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 ethyl acetate O=C(OCC)C 0.113 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=ethyl+acetate O=C(O)c1ccc(O)cc1.CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2012-05-16T19:28:46Z 2599 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 ethyl acetate CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 0.738 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=ethyl+acetate O=C(O)Cc1ccc(O)cc1.CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2012-05-16T19:28:46Z 2600 4-hydroxyphenylacetic acid O=C(O)Cc1ccc(O)cc1 ethyl acetate CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 0.872 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxyphenylacetic+acid&solvent=ethyl+acetate COc1ccc(cc1)C(O)=O.O=C(OCC)C 2012-05-16T19:28:46Z 2601 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O ethyl acetate O=C(OCC)C 0.130 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=ethyl+acetate O=[N+]([O-])c1ccc(C(=O)O)cc1.O=C(OCC)C 2012-05-16T19:28:46Z 2602 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 ethyl acetate O=C(OCC)C 0.130 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=ethyl+acetate ClCc1ccc([N+]([O-])=O)cc1.O=C(OCC)C 2012-05-16T19:28:46Z 2603 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 ethyl acetate O=C(OCC)C 0.066 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=ethyl+acetate c1c[n+](ccc1[N+](=O)[O-])[O-].O=C(OCC)C 2012-05-16T19:28:46Z 2604 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] ethyl acetate O=C(OCC)C 0.127 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=ethyl+acetate Fc1cc2c(cc1)NC(=O)C2=O.O=C(OCC)C 2012-05-16T19:28:46Z 2605 5-fluoroisatin Fc1cc2c(cc1)NC(=O)C2=O ethyl acetate O=C(OCC)C 0.102 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluoroisatin&solvent=ethyl+acetate c1cc2cccc3c2c(c1)CC3.O=C(OCC)C 2012-05-16T19:28:46Z 2606 acenaphthene c1cc2cccc3c2c(c1)CC3 ethyl acetate O=C(OCC)C 1.057 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=ethyl+acetate O=C(NP(=O)(OC)SC)C.CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2012-05-16T19:28:46Z 2607 acephate O=C(NP(=O)(OC)SC)C ethyl acetate CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 0.350 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acephate&solvent=ethyl+acetate O=C(Nc1ccc(O)cc1)C.CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2012-05-16T19:28:46Z 2608 acetaminophen O=C(Nc1ccc(O)cc1)C ethyl acetate CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 0.082 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=ethyl+acetate O=C(Oc1ccccc1C(=O)O)C.CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2012-05-16T19:28:46Z 2609 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C ethyl acetate CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 0.453 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=ethyl+acetate c1ccc2cc3ccccc3cc2c1.O=C(OCC)C 2012-05-16T19:28:46Z 2610 anthracene c1ccc2cc3ccccc3cc2c1 ethyl acetate O=C(OCC)C 0.049 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=ethyl+acetate O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C.O=C(OCC)C 2012-05-16T19:28:46Z 2611 artemisinin O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C ethyl acetate O=C(OCC)C 0.142 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=artemisinin&solvent=ethyl+acetate O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO.CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2012-05-16T19:28:46Z 2612 ascorbic acid O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO ethyl acetate CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 0.001 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ascorbic+acid&solvent=ethyl+acetate c1ccc2c(c1)[nH]cn2.O=C(OCC)C 2012-05-16T19:28:46Z 2613 benzimidazole c1ccc2c(c1)[nH]cn2 ethyl acetate O=C(OCC)C 0.143 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=ethyl+acetate O=C(O)c1ccccc1.CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2012-05-16T19:28:46Z 2614 benzoic acid O=C(O)c1ccccc1 ethyl acetate CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 1.990 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=ethyl+acetate c1ccc(cc1)C(C(=O)c2ccccc2)O.O=C(OCC)C 2012-05-16T19:28:46Z 2615 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O ethyl acetate O=C(OCC)C 0.130 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=ethyl+acetate O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5.O=C(OCC)C 2012-05-16T19:28:46Z 2616 betulinic acid O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5 ethyl acetate O=C(OCC)C 0.007 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=betulinic+acid&solvent=ethyl+acetate O=C(OCCCC)c1ccc(O)cc1.O=C(OCC)C 2012-05-16T19:28:46Z 2617 butylparaben O=C(OCCCC)c1ccc(O)cc1 ethyl acetate O=C(OCC)C 2.827 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butylparaben&solvent=ethyl+acetate O=C(O)[C@H]1N(C(=O)[C@H](C)CS)CCC1.O=C(OCC)C 2012-05-16T19:28:46Z 2618 captopril O=C(O)[C@H]1N(C(=O)[C@H](C)CS)CCC1 ethyl acetate O=C(OCC)C 0.153 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=captopril&solvent=ethyl+acetate O=C2c1ccccc1C(=O)c3c2cccc3Cl.O=C(OCC)C 2012-05-16T19:28:46Z 2619 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl ethyl acetate O=C(OCC)C 0.070 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=ethyl+acetate N#CN\C(=N/C)NCCSCc1ncnc1C.CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2012-05-16T19:28:46Z 2620 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C ethyl acetate CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=ethyl+acetate O=C(O)C=Cc1ccccc1.O=C(OCC)C 2012-05-16T19:28:46Z 2621 cinnamic acid O=C(O)C=Cc1ccccc1 ethyl acetate O=C(OCC)C 0.787 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=ethyl+acetate O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.O=C(OCC)C 2012-05-16T19:28:46Z 2622 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 ethyl acetate O=C(OCC)C 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=ethyl+acetate O=S(=O)(c1ccccc1)c2ccccc2.O=C(OCC)C 2012-05-16T19:28:46Z 2623 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 ethyl acetate O=C(OCC)C 0.439 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=ethyl+acetate Clc1ccc(NC(=O)N(C)C)cc1Cl.O=C(OCC)C 2012-05-16T19:28:46Z 2624 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl ethyl acetate O=C(OCC)C 0.093 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=ethyl+acetate c1ccc-2c(c1)-c3cccc4c3c2ccc4.O=C(OCC)C 2012-05-16T19:28:46Z 2625 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 ethyl acetate O=C(OCC)C 0.826 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=ethyl+acetate O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2.O=C(OCC)C 2012-05-16T19:28:46Z 2626 furosemide O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2 ethyl acetate O=C(OCC)C 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furosemide&solvent=ethyl+acetate c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.O=C(OCC)C 2012-05-16T19:28:46Z 2627 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F ethyl acetate O=C(OCC)C 0.101 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=ethyl+acetate c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.O=C(OCC)C 2012-05-16T19:28:46Z 2628 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl ethyl acetate O=C(OCC)C 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=ethyl+acetate c1cc(ccc1O)O.O=C(OCC)C 2012-05-16T19:28:46Z 2629 hydroquinone c1cc(ccc1O)O ethyl acetate O=C(OCC)C 1.033 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydroquinone&solvent=ethyl+acetate O=C(O)C(c1ccc(cc1)CC(C)C)C.CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2012-05-16T19:28:46Z 2630 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C ethyl acetate CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2.529 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=ethyl+acetate O=C/3Oc2c(OC\C=C(/C)C)c1occc1cc2\C=C\3.O=C(OCC)C 2012-05-16T19:28:46Z 2631 imperatorin O=C/3Oc2c(OC\C=C(/C)C)c1occc1cc2\C=C\3 ethyl acetate O=C(OCC)C 0.070 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=imperatorin&solvent=ethyl+acetate O=C(NN)c1ccncc1.O=C(OCC)C 2012-05-16T19:28:46Z 2632 isoniazid O=C(NN)c1ccncc1 ethyl acetate O=C(OCC)C 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isoniazid&solvent=ethyl+acetate O=C(O)\C(=C)CC(=O)O.O=C(OCC)C 2012-05-16T19:28:46Z 2633 itaconic acid O=C(O)\C(=C)CC(=O)O ethyl acetate O=C(OCC)C 0.112 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=itaconic+acid&solvent=ethyl+acetate CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.O=C(OCC)C 2012-05-16T19:28:46Z 2634 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O ethyl acetate O=C(OCC)C 1.326 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=ethyl+acetate O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC.O=C(OCC)C 2012-05-16T19:28:46Z 2635 lovastatin O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC ethyl acetate O=C(OCC)C 0.067 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lovastatin&solvent=ethyl+acetate O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.O=C(OCC)C 2012-05-16T19:28:46Z 2636 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C ethyl acetate O=C(OCC)C 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=ethyl+acetate O=P(c1ccccc1)(c2ccccc2)C.O=C(OCC)C 2012-05-16T19:28:46Z 2637 methyl diphenylphosphine oxide O=P(c1ccccc1)(c2ccccc2)C ethyl acetate O=C(OCC)C 0.484 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+diphenylphosphine+oxide&solvent=ethyl+acetate COC(=O)c1ccc(cc1)O.O=C(OCC)C 2012-05-16T19:28:46Z 2638 methylparaben COC(=O)c1ccc(cc1)O ethyl acetate O=C(OCC)C 1.252 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=ethyl+acetate Clc1ccc(NC(=O)N(C)C)cc1.O=C(OCC)C 2012-05-16T19:28:46Z 2639 monuron Clc1ccc(NC(=O)N(C)C)cc1 ethyl acetate O=C(OCC)C 0.102 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=ethyl+acetate c1ccc2ccccc2c1.O=C(OCC)C 2012-05-16T19:28:46Z 2640 naphthalene c1ccc2ccccc2c1 ethyl acetate O=C(OCC)C 2.632 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=ethyl+acetate O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2012-05-16T19:28:46Z 2641 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C ethyl acetate CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 0.306 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=ethyl+acetate FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2012-05-16T19:28:46Z 2642 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O ethyl acetate CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=ethyl+acetate O=C(Nc1ccc(OCC)cc1)C.CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2012-05-16T19:28:46Z 2643 phenacetin O=C(Nc1ccc(OCC)cc1)C ethyl acetate CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 0.116 Non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=ethyl+acetate c1ccc2c(c1)ccc3c2cccc3.O=C(OCC)C 2012-05-16T19:28:46Z 2644 phenanthrene c1ccc2c(c1)ccc3c2cccc3 ethyl acetate O=C(OCC)C 1.400 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=ethyl+acetate O=Cc2cc3c(c1c2cccc1)cccc3.O=C(OCC)C 2012-05-16T19:28:46Z 2645 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 ethyl acetate O=C(OCC)C 0.440 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=ethyl+acetate O=C(O)Cc1ccccc1.O=C(OCC)C 2012-05-16T19:28:46Z 2646 phenylacetic acid O=C(O)Cc1ccccc1 ethyl acetate O=C(OCC)C 3.654 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=ethyl+acetate O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2.O=C(OCC)C 2012-05-16T19:28:46Z 2647 phloretin O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2 ethyl acetate O=C(OCC)C 0.281 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phloretin&solvent=ethyl+acetate Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5.O=C(OCC)C 2012-05-16T19:28:46Z 2648 pimozide Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5 ethyl acetate O=C(OCC)C 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimozide&solvent=ethyl+acetate COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4.O=C(OCC)C 2012-05-16T19:28:46Z 2649 podophyllotoxin COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4 ethyl acetate O=C(OCC)C 0.101 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=podophyllotoxin&solvent=ethyl+acetate c1cc2ccc3cccc4c3c2c(c1)cc4.O=C(OCC)C 2012-05-16T19:28:46Z 2650 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 ethyl acetate O=C(OCC)C 0.419 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=ethyl+acetate C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O.O=C(OCC)C 2012-05-16T19:28:46Z 2651 rutin C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O ethyl acetate O=C(OCC)C 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=rutin&solvent=ethyl+acetate O=C(c1ccccc1O)N.CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2012-05-16T19:28:46Z 2652 salicylamide O=C(c1ccccc1O)N ethyl acetate CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 0.759 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=ethyl+acetate O=C(O)c1ccccc1O.CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 2012-05-16T19:28:46Z 2653 salicylic acid O=C(O)c1ccccc1O ethyl acetate CCOC(=O)C1=NN(C(=N1)C(Cl)(Cl)Cl)C2=C(C=C(C=C2)Cl)Cl 1.370 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=ethyl+acetate O=C(O)CCCCCCCCCCCCCCCCC.O=C(OCC)C 2012-05-16T19:28:46Z 2654 stearic acid O=C(O)CCCCCCCCCCCCCCCCC ethyl acetate O=C(OCC)C 0.138 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=stearic+acid&solvent=ethyl+acetate O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.O=C(OCC)C 2012-05-16T19:28:46Z 2655 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 ethyl acetate O=C(OCC)C 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=ethyl+acetate O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C.O=C(OCC)C 2012-05-16T19:28:46Z 2656 tenoxicam O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C ethyl acetate O=C(OCC)C 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tenoxicam&solvent=ethyl+acetate O=C1c3c(Sc2c1cccc2)cccc3.O=C(OCC)C 2012-05-16T19:28:46Z 2657 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 ethyl acetate O=C(OCC)C 0.035 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=ethyl+acetate O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC.O=C(OCC)C 2012-05-16T19:28:46Z 2658 Ugi product 176C (UC) O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC ethyl acetate O=C(OCC)C 0.010 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+176C+(UC)&solvent=ethyl+acetate c1ccc2cc3ccccc3cc2c1.CCOC(=O)CC(=O)C 2012-05-16T19:28:46Z 2659 anthracene c1ccc2cc3ccccc3cc2c1 ethyl acetoacetate CCOC(=O)CC(=O)C 0.035 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=ethyl+acetoacetate Clc1ccc(NC(=O)N(C)C)cc1Cl.CCc1ccccc1 2012-05-16T19:28:46Z 2660 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl ethyl benzene CCc1ccccc1 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=ethyl+benzene ClCc1ccc([N+]([O-])=O)cc1.O=C(OCC)c1ccccc1 2012-05-16T19:28:46Z 2661 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 ethyl benzoate O=C(OCC)c1ccccc1 1.970 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=ethyl+benzoate n1cnnc1.O=COCC 2012-05-16T19:28:46Z 2662 1,2,4-triazole n1cnnc1 ethyl formate O=COCC 0.409 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,4-triazole&solvent=ethyl+formate O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC.O=COCC 2012-05-16T19:28:46Z 2663 2-(4-ethylbenzoyl)benzoic acid O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC ethyl formate O=COCC 0.055 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(4-ethylbenzoyl)benzoic+acid&solvent=ethyl+formate O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)O.O=COCC 2012-05-16T19:28:46Z 2664 3-nitrophthalic acid O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)O ethyl formate O=COCC 0.041 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalic+acid&solvent=ethyl+formate O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5.O=COCC 2012-05-16T19:28:46Z 2665 betulinic acid O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5 ethyl formate O=COCC 0.005 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=betulinic+acid&solvent=ethyl+formate Brc1ccc(Br)cc1.CCc1ccccc1 2012-05-16T19:28:46Z 2666 1,4-dibromobenzene Brc1ccc(Br)cc1 ethylbenzene CCc1ccccc1 1.964 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=ethylbenzene c1cc(nc(c1)N)N.CCc1ccccc1 2012-05-16T19:28:46Z 2667 2,6-diaminopyridine c1cc(nc(c1)N)N ethylbenzene CCc1ccccc1 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,6-diaminopyridine&solvent=ethylbenzene c1ccc(cc1)C(C(=O)c2ccccc2)O.CCc1ccccc1 2012-05-16T19:28:46Z 2668 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O ethylbenzene CCc1ccccc1 0.036 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=ethylbenzene c1ccc(cc1)c2ccccc2.CCc1ccccc1 2012-05-16T19:28:46Z 2669 biphenyl c1ccc(cc1)c2ccccc2 ethylbenzene CCc1ccccc1 2.710 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=ethylbenzene Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.CCc1ccccc1 2012-05-16T19:28:46Z 2670 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F ethylbenzene CCc1ccccc1 2.610 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=ethylbenzene ClC(Cl)(Cl)C(Cl)(Cl)Cl.CCc1ccccc1 2012-05-16T19:28:46Z 2671 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl ethylbenzene CCc1ccccc1 1.717 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=ethylbenzene O=P(c1ccccc1)(c2ccccc2)C.CCc1ccccc1 2012-05-16T19:28:46Z 2672 methyl diphenylphosphine oxide O=P(c1ccccc1)(c2ccccc2)C ethylbenzene CCc1ccccc1 0.181 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+diphenylphosphine+oxide&solvent=ethylbenzene c1ccc2ccccc2c1.CCc1ccccc1 2012-05-16T19:28:46Z 2673 naphthalene c1ccc2ccccc2c1 ethylbenzene CCc1ccccc1 2.372 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=ethylbenzene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.CCc1ccccc1 2012-05-16T19:28:46Z 2674 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F ethylbenzene CCc1ccccc1 3.101 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=ethylbenzene c1cc2ccc3cccc4c3c2c(c1)cc4.CCc1ccccc1 2012-05-16T19:28:46Z 2675 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 ethylbenzene CCc1ccccc1 0.515 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=ethylbenzene c1ccc(cc1)/C=C/c2ccccc2.CCc1ccccc1 2012-05-16T19:28:46Z 2676 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 ethylbenzene CCc1ccccc1 0.427 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=ethylbenzene [O-][N+](=O)c2cccc1ccccc12.C(CO)O 2012-05-16T19:28:46Z 2677 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 ethylene glycol C(CO)O 0.081 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=ethylene+glycol O=C(O)c1ccc(N)cc1.OCCO 2012-05-16T19:28:46Z 2678 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 ethylene glycol OCCO 1.158 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=ethylene+glycol O=C(O)c1ccc(O)cc1.OCCO 2012-05-16T19:28:46Z 2679 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 ethylene glycol OCCO 1.859 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=ethylene+glycol O=C(Nc1ccc(O)cc1)C.OCCO 2012-05-16T19:28:46Z 2680 acetaminophen O=C(Nc1ccc(O)cc1)C ethylene glycol OCCO 1.297 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=ethylene+glycol c1ccc2cc3ccccc3cc2c1.OCCO 2012-05-16T19:28:46Z 2681 anthracene c1ccc2cc3ccccc3cc2c1 ethylene glycol OCCO 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=ethylene+glycol O=C(O)c1ccccc1.OCCO 2012-05-16T19:28:46Z 2682 benzoic acid O=C(O)c1ccccc1 ethylene glycol OCCO 1.090 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=ethylene+glycol c1ccc(cc1)c2ccccc2.C(CO)O 2012-05-16T19:28:46Z 2683 biphenyl c1ccc(cc1)c2ccccc2 ethylene glycol C(CO)O 0.047 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=ethylene+glycol N#CN\C(=N/C)NCCSCc1ncnc1C.OCCO 2012-05-16T19:28:46Z 2684 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C ethylene glycol OCCO 0.516 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=ethylene+glycol O=C(O)C=Cc1ccccc1.C(CO)O 2012-05-16T19:28:46Z 2685 cinnamic acid O=C(O)C=Cc1ccccc1 ethylene glycol C(CO)O 0.382 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=ethylene+glycol c1c(c(cc(c1C)C)C)C.C(CO)O 2012-05-16T19:28:46Z 2686 durene c1c(c(cc(c1C)C)C)C ethylene glycol C(CO)O 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=ethylene+glycol c1ccc-2c(c1)-c3cccc4c3c2ccc4.C(CO)O 2012-05-16T19:28:46Z 2687 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 ethylene glycol C(CO)O 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=ethylene+glycol O=C(O)C(c1ccc(cc1)CC(C)C)C.OCCO 2012-05-16T19:28:46Z 2688 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C ethylene glycol OCCO 0.320 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=ethylene+glycol COC(=O)c1ccc(cc1)O.OCCO 2012-05-16T19:28:46Z 2689 methylparaben COC(=O)c1ccc(cc1)O ethylene glycol OCCO 0.802 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=ethylene+glycol O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.OCCO 2012-05-16T19:28:46Z 2690 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C ethylene glycol OCCO 0.067 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=ethylene+glycol FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.OCCO 2012-05-16T19:28:46Z 2691 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O ethylene glycol OCCO 0.019 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=ethylene+glycol c1ccc2c(c1)ccc3c2cccc3.OCCO 2012-05-16T19:28:46Z 2692 phenanthrene c1ccc2c(c1)ccc3c2cccc3 ethylene glycol OCCO 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=ethylene+glycol c1ccc2c(c1)Nc3ccccc3S2.C(CO)O 2012-05-16T19:28:46Z 2693 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 ethylene glycol C(CO)O 0.034 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=ethylene+glycol c1cc2ccc3cccc4c3c2c(c1)cc4.C(CO)O 2012-05-16T19:28:46Z 2694 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 ethylene glycol C(CO)O 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=ethylene+glycol O=C(O)c1ccccc1O.OCCO 2012-05-16T19:28:46Z 2695 salicylic acid O=C(O)c1ccccc1O ethylene glycol OCCO 1.411 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=ethylene+glycol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.C(CO)O 2012-05-16T19:28:46Z 2696 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 ethylene glycol C(CO)O 0.087 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=ethylene+glycol c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.OCCO 2012-05-16T19:28:46Z 2697 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 ethylene glycol OCCO 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=ethylene+glycol S1c3c(Sc2c1cccc2)cccc3.OCCO 2012-05-16T19:28:46Z 2698 thianthrene S1c3c(Sc2c1cccc2)cccc3 ethylene glycol OCCO 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=ethylene+glycol c1ccc(cc1)/C=C/c2ccccc2.OCCO 2012-05-16T19:28:46Z 2699 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 ethylene glycol OCCO 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=ethylene+glycol c1ccc2cc3ccccc3cc2c1.Fc1ccccc1 2012-05-16T19:28:46Z 2700 anthracene c1ccc2cc3ccccc3cc2c1 fluorobenzene Fc1ccccc1 0.071 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=fluorobenzene c1ccc(cc1)C(=O)C(=O)c2ccccc2.Fc1ccccc1 2012-05-16T19:28:46Z 2701 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 fluorobenzene Fc1ccccc1 1.734 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=fluorobenzene O=C2c1ccccc1C(=O)c3c2cccc3Cl.Fc1ccccc1 2012-05-16T19:28:46Z 2702 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl fluorobenzene Fc1ccccc1 0.144 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=fluorobenzene c1cc2ccc3cccc4c3c2c(c1)cc4.Fc1ccccc1 2012-05-16T19:28:46Z 2703 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 fluorobenzene Fc1ccccc1 0.617 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=fluorobenzene O=C(c1ccccc1O)N.Fc1ccccc1 2012-05-16T19:28:46Z 2704 salicylamide O=C(c1ccccc1O)N fluorobenzene Fc1ccccc1 0.022 amide n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=fluorobenzene n1cnnc1.O=CN 2012-05-16T19:28:46Z 2705 1,2,4-triazole n1cnnc1 formamide O=CN 4.999 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,4-triazole&solvent=formamide O=C(O)c1ccc(N)cc1.O=CN 2012-05-16T19:28:46Z 2706 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 formamide O=CN 0.261 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=formamide c1cc(ccc1C(=O)O)O.O=CN 2012-05-16T19:28:46Z 2707 4-hydroxybenzoic acid c1cc(ccc1C(=O)O)O formamide O=CN 0.712 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=formamide O=C(Nc1ccc(O)cc1)C.O=CN 2012-05-16T19:28:46Z 2708 acetaminophen O=C(Nc1ccc(O)cc1)C formamide O=CN 2.749 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=formamide O=C(O)c1ccccc1.O=CN 2012-05-16T19:28:46Z 2709 benzoic acid O=C(O)c1ccccc1 formamide O=CN 2.794 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=formamide O=C(O)C(c1ccc(cc1)CC(C)C)C.O=CN 2012-05-16T19:28:46Z 2710 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C formamide O=CN 0.030 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=formamide COC(=O)c1ccc(cc1)O.O=CN 2012-05-16T19:28:46Z 2711 methylparaben COC(=O)c1ccc(cc1)O formamide O=CN 1.468 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=formamide O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.O=CN 2012-05-16T19:28:46Z 2712 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C formamide O=CN 0.138 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=formamide FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.O=CN 2012-05-16T19:28:46Z 2713 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O formamide O=CN 0.058 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=formamide O=C(O)c1ccccc1O.O=CN 2012-05-16T19:28:46Z 2714 salicylic acid O=C(O)c1ccccc1O formamide O=CN 0.881 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=formamide c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.O=CN 2012-05-16T19:28:46Z 2715 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 formamide O=CN 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=formamide O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.C(=O)O 2012-05-16T19:28:46Z 2716 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 formic acid C(=O)O 1.060 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=formic+acid C(CC(=O)O)[C@@H](C(=O)O)N.C(=O)O 2012-05-16T19:28:46Z 2717 L-glutamic acid C(CC(=O)O)[C@@H](C(=O)O)N formic acid C(=O)O 1.348 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=L-glutamic+acid&solvent=formic+acid N#CN\C(=N/C)NCCSCc1ncnc1C.OCC(O)CO 2012-05-16T19:28:46Z 2718 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C glycerol OCC(O)CO 0.125 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=glycerol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.C(C(CO)O)O 2012-05-16T19:28:46Z 2719 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F glycerol C(C(CO)O)O 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=glycerol O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.C(C(CO)O)O 2012-05-16T19:28:46Z 2720 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C glycerol C(C(CO)O)O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=glycerol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.C(C(CO)O)O 2012-05-16T19:28:46Z 2721 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 glycerol C(C(CO)O)O 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=glycerol [O-][N+](=O)c2cccc1ccccc12.CCCCCCC 2012-05-16T19:28:46Z 2722 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 heptane CCCCCCC 0.138 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=heptane c1c(cc(c(c1Cl)OCCBr)Cl)Cl.CCCCCCC 2012-05-16T19:28:46Z 2723 2-(2,4,6-trichlorophenoxy)ethyl bromide c1c(cc(c(c1Cl)OCCBr)Cl)Cl heptane CCCCCCC 0.571 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(2,4,6-trichlorophenoxy)ethyl+bromide&solvent=heptane O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.CCCCCCC 2012-05-16T19:28:46Z 2724 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC heptane CCCCCCC 0.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=heptane O=C(O)c1ccc(N)cc1.CCCCCCC 2012-05-16T19:28:46Z 2725 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 heptane CCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=heptane c1c[n+](ccc1[N+](=O)[O-])[O-].CCCCCCC 2012-05-16T19:28:46Z 2726 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] heptane CCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=heptane O=C3c1ccccc1c2c3cccc2.CCCCCCC 2012-05-16T19:28:46Z 2727 9-fluorenone O=C3c1ccccc1c2c3cccc2 heptane CCCCCCC 0.110 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=heptane c1cc2cccc3c2c(c1)CC3.CCCCCCC 2012-05-16T19:28:46Z 2728 acenaphthene c1cc2cccc3c2c(c1)CC3 heptane CCCCCCC 0.417 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=heptane c1ccc2cc3ccccc3cc2c1.CCCCCCC 2012-05-16T19:28:46Z 2729 anthracene c1ccc2cc3ccccc3cc2c1 heptane CCCCCCC 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=heptane c1ccc(cc1)C(=O)C(=O)c2ccccc2.CCCCCCC 2012-05-16T19:28:46Z 2730 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 heptane CCCCCCC 0.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=heptane c1ccc2c(c1)[nH]cn2.CCCCCCC 2012-05-16T19:28:46Z 2731 benzimidazole c1ccc2c(c1)[nH]cn2 heptane CCCCCCC 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=heptane O=C(O)c1ccccc1.CCCCCCC 2012-05-16T19:28:46Z 2732 benzoic acid O=C(O)c1ccccc1 heptane CCCCCCC 0.081 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=heptane O=C(c1ccccc1)c2ccccc2.CCCCCCC 2012-05-16T19:28:46Z 2733 benzophenone O=C(c1ccccc1)c2ccccc2 heptane CCCCCCC 0.294 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzophenone&solvent=heptane C1=CC(=O)C=CC1=O.CCCCCCC 2012-05-16T19:28:46Z 2734 benzoquinone C1=CC(=O)C=CC1=O heptane CCCCCCC 0.046 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoquinone&solvent=heptane c1ccc(cc1)c2ccccc2.CCCCCCC 2012-05-16T19:28:46Z 2735 biphenyl c1ccc(cc1)c2ccccc2 heptane CCCCCCC 0.948 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=heptane c1ccc2c(c1)c3ccccc3[nH]2.CCCCCCC 2012-05-16T19:28:46Z 2736 carbazole c1ccc2c(c1)c3ccccc3[nH]2 heptane CCCCCCC 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbazole&solvent=heptane O=C2c1ccccc1C(=O)c3c2cccc3Cl.CCCCCCC 2012-05-16T19:28:46Z 2737 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl heptane CCCCCCC 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=heptane Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.CCCCCCC 2012-05-16T19:28:46Z 2738 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F heptane CCCCCCC 0.804 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=heptane O=S(=O)(c1ccccc1)c2ccccc2.CCCCCCC 2012-05-16T19:28:46Z 2739 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 heptane CCCCCCC 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=heptane Clc1ccc(NC(=O)N(C)C)cc1Cl.CCCCCCC 2012-05-16T19:28:46Z 2740 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl heptane CCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=heptane c1c(c(cc(c1C)C)C)C.CCCCCCC 2012-05-16T19:28:46Z 2741 durene c1c(c(cc(c1C)C)C)C heptane CCCCCCC 1.449 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=heptane c1ccc-2c(c1)-c3cccc4c3c2ccc4.CCCCCCC 2012-05-16T19:28:46Z 2742 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 heptane CCCCCCC 0.127 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=heptane c1ccc-2c(c1)Cc3c2cccc3.CCCCCCC 2012-05-16T19:28:46Z 2743 fluorene c1ccc-2c(c1)Cc3c2cccc3 heptane CCCCCCC 0.236 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=heptane c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.CCCCCCC 2012-05-16T19:28:46Z 2744 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl heptane CCCCCCC 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=heptane ClC(Cl)(Cl)C(Cl)(Cl)Cl.CCCCCCC 2012-05-16T19:28:46Z 2745 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl heptane CCCCCCC 1.069 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=heptane O=C(O)C(c1ccc(cc1)CC(C)C)C.CCCCCCC 2012-05-16T19:28:46Z 2746 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C heptane CCCCCCC 0.380 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=heptane COC(=O)c1ccc(cc1)O.CCCCCCC 2012-05-16T19:28:46Z 2747 methylparaben COC(=O)c1ccc(cc1)O heptane CCCCCCC 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=heptane Clc1ccc(NC(=O)N(C)C)cc1.CCCCCCC 2012-05-16T19:28:46Z 2748 monuron Clc1ccc(NC(=O)N(C)C)cc1 heptane CCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=heptane c1ccc2ccccc2c1.CCCCCCC 2012-05-16T19:28:46Z 2749 naphthalene c1ccc2ccccc2c1 heptane CCCCCCC 0.715 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=heptane O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.CCCCCCC 2012-05-16T19:28:46Z 2750 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C heptane CCCCCCC 0.012 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=heptane FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.CCCCCCC 2012-05-16T19:28:46Z 2751 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O heptane CCCCCCC 0.050 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=heptane Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.CCCCCCC 2012-05-16T19:28:46Z 2752 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F heptane CCCCCCC 0.715 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=heptane CCCCCCCCCCCCCCCC(=O)O.CCCCCCC 2012-05-16T19:28:46Z 2753 palmitic acid CCCCCCCCCCCCCCCC(=O)O heptane CCCCCCC 0.204 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=palmitic+acid&solvent=heptane c1ccc2c(c1)ccc3c2cccc3.CCCCCCC 2012-05-16T19:28:46Z 2754 phenanthrene c1ccc2c(c1)ccc3c2cccc3 heptane CCCCCCC 0.263 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=heptane c1ccc2c(c1)Nc3ccccc3S2.CCCCCCC 2012-05-16T19:28:46Z 2755 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 heptane CCCCCCC 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=heptane O=C(O)Cc1ccccc1.CCCCCCC 2012-05-16T19:28:46Z 2756 phenylacetic acid O=C(O)Cc1ccccc1 heptane CCCCCCC 0.093 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=heptane c1cc2ccc3cccc4c3c2c(c1)cc4.CCCCCCC 2012-05-16T19:28:46Z 2757 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 heptane CCCCCCC 0.075 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=heptane O=C(O)c1ccccc1O.CCCCCCC 2012-05-16T19:28:46Z 2758 salicylic acid O=C(O)c1ccccc1O heptane CCCCCCC 0.008 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=heptane O=C(O)CCCCCCCCCCCCCCCCC.CCCCCCC 2012-05-16T19:28:46Z 2759 stearic acid O=C(O)CCCCCCCCCCCCCCCCC heptane CCCCCCC 0.037 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=stearic+acid&solvent=heptane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.CCCCCCC 2012-05-16T19:28:46Z 2760 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 heptane CCCCCCC 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=heptane S1c3c(Sc2c1cccc2)cccc3.CCCCCCC 2012-05-16T19:28:46Z 2761 thianthrene S1c3c(Sc2c1cccc2)cccc3 heptane CCCCCCC 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=heptane O=C1c3c(Sc2c1cccc2)cccc3.CCCCCCC 2012-05-16T19:28:46Z 2762 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 heptane CCCCCCC 0.003 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=heptane c1ccc(cc1)/C=C/c2ccccc2.CCCCCCC 2012-05-16T19:28:46Z 2763 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 heptane CCCCCCC 0.075 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=heptane Clc2ccc(OC(C(=O)C(C)(C)C)n1ncnc1)cc2.CCCCCCC 2012-05-16T19:28:46Z 2764 triadimefon Clc2ccc(OC(C(=O)C(C)(C)C)n1ncnc1)cc2 heptane CCCCCCC 0.022 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triadimefon&solvent=heptane O2c1ccccc1Cc3c2cccc3.CCCCCCC 2012-05-16T19:28:46Z 2765 xanthene O2c1ccccc1Cc3c2cccc3 heptane CCCCCCC 0.240 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=heptane [O-][N+](=O)c2cccc1ccccc12.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2766 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 hexadecane CCCCCCCCCCCCCCCC 0.138 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=hexadecane Brc1ccc(Br)cc1.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2767 1,4-dibromobenzene Brc1ccc(Br)cc1 hexadecane CCCCCCCCCCCCCCCC 0.572 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=hexadecane c1c[n+](ccc1[N+](=O)[O-])[O-].CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2768 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] hexadecane CCCCCCCCCCCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=hexadecane O=C3c1ccccc1c2c3cccc2.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2769 9-fluorenone O=C3c1ccccc1c2c3cccc2 hexadecane CCCCCCCCCCCCCCCC 0.120 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=hexadecane c1cc2cccc3c2c(c1)CC3.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2770 acenaphthene c1cc2cccc3c2c(c1)CC3 hexadecane CCCCCCCCCCCCCCCC 0.384 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=hexadecane c1ccc2cc3ccccc3cc2c1.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2771 anthracene c1ccc2cc3ccccc3cc2c1 hexadecane CCCCCCCCCCCCCCCC 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=hexadecane c1ccc(cc1)C(=O)C(=O)c2ccccc2.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2772 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 hexadecane CCCCCCCCCCCCCCCC 0.041 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=hexadecane c1ccc(cc1)c2ccccc2.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2773 biphenyl c1ccc(cc1)c2ccccc2 hexadecane CCCCCCCCCCCCCCCC 0.819 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=hexadecane O=C2c1ccccc1C(=O)c3c2cccc3Cl.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2774 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl hexadecane CCCCCCCCCCCCCCCC 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=hexadecane O=S(=O)(c1ccccc1)c2ccccc2.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2775 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 hexadecane CCCCCCCCCCCCCCCC 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=hexadecane Clc1ccc(NC(=O)N(C)C)cc1Cl.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2776 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl hexadecane CCCCCCCCCCCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=hexadecane c1c(c(cc(c1C)C)C)C.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2777 durene c1c(c(cc(c1C)C)C)C hexadecane CCCCCCCCCCCCCCCC 1.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=hexadecane c1ccc-2c(c1)-c3cccc4c3c2ccc4.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2778 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 hexadecane CCCCCCCCCCCCCCCC 0.175 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=hexadecane c1ccc-2c(c1)Cc3c2cccc3.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2779 fluorene c1ccc-2c(c1)Cc3c2cccc3 hexadecane CCCCCCCCCCCCCCCC 0.240 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=hexadecane c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2780 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl hexadecane CCCCCCCCCCCCCCCC 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=hexadecane Clc1ccc(NC(=O)N(C)C)cc1.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2781 monuron Clc1ccc(NC(=O)N(C)C)cc1 hexadecane CCCCCCCCCCCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=hexadecane c1ccc2ccccc2c1.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2782 naphthalene c1ccc2ccccc2c1 hexadecane CCCCCCCCCCCCCCCC 0.792 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=hexadecane c1ccc2c(c1)ccc3c2cccc3.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2783 phenanthrene c1ccc2c(c1)ccc3c2cccc3 hexadecane CCCCCCCCCCCCCCCC 0.282 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=hexadecane c1ccc2c(c1)Nc3ccccc3S2.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2784 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 hexadecane CCCCCCCCCCCCCCCC 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=hexadecane c1cc2ccc3cccc4c3c2c(c1)cc4.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2785 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 hexadecane CCCCCCCCCCCCCCCC 0.118 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=hexadecane S1c3c(Sc2c1cccc2)cccc3.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2786 thianthrene S1c3c(Sc2c1cccc2)cccc3 hexadecane CCCCCCCCCCCCCCCC 0.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=hexadecane O=C1c3c(Sc2c1cccc2)cccc3.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2787 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 hexadecane CCCCCCCCCCCCCCCC 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=hexadecane c1ccc(cc1)/C=C/c2ccccc2.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2788 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 hexadecane CCCCCCCCCCCCCCCC 0.075 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=hexadecane O2c1ccccc1Cc3c2cccc3.CCCCCCCCCCCCCCCC 2012-05-16T19:28:46Z 2789 xanthene O2c1ccccc1Cc3c2cccc3 hexadecane CCCCCCCCCCCCCCCC 0.240 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=hexadecane [O-][N+](=O)c2cccc1ccccc12.CCCCCC 2012-05-16T19:28:46Z 2790 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 hexane CCCCCC 0.137 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=hexane NCCCCCCCCCCCCCCCCCC.CCCCCC 2012-05-16T19:28:46Z 2791 1-octadecylamine NCCCCCCCCCCCCCCCCCC hexane CCCCCC 0.130 amine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-octadecylamine&solvent=hexane Brc1ccc(Br)cc1.CCCCCC 2012-05-16T19:28:46Z 2792 1,4-dibromobenzene Brc1ccc(Br)cc1 hexane CCCCCC 0.658 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=hexane O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.CCCCCC 2012-05-16T19:28:46Z 2793 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC hexane CCCCCC 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=hexane c1ccc2cc(ccc2c1)O.CCCCCC 2012-05-16T19:28:46Z 2794 2-naphthol c1ccc2cc(ccc2c1)O hexane CCCCCC 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=hexane O=C(O)C(c1ccccc1)CC.CCCCCC 2012-05-16T19:28:46Z 2795 2-phenylbutyric acid O=C(O)C(c1ccccc1)CC hexane CCCCCC 3.480 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-phenylbutyric+acid&solvent=hexane CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-].CCCCCC 2012-05-16T19:28:46Z 2796 2,3-dimethyl-2,3-dinitrobutane CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-] hexane CCCCCC 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-dimethyl-2,3-dinitrobutane&solvent=hexane O=C(O)c1cc(ccc1)C.CCCCCC 2012-05-16T19:28:46Z 2797 3-methylbenzoic acid O=C(O)c1cc(ccc1)C hexane CCCCCC 0.092 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=hexane O=C(O)c1ccc(O)cc1.CCCCCC 2012-05-16T19:28:46Z 2798 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 hexane CCCCCC 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=hexane ClCc1ccc([N+]([O-])=O)cc1.CCCCCC 2012-05-16T19:28:46Z 2799 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 hexane CCCCCC 0.714 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=hexane c1c[n+](ccc1[N+](=O)[O-])[O-].CCCCCC 2012-05-16T19:28:46Z 2800 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] hexane CCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=hexane O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3.CCCCCC 2012-05-16T19:28:46Z 2801 4-pyrenebutanoic acid O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3 hexane CCCCCC 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-pyrenebutanoic+acid&solvent=hexane O=C3c1ccccc1c2c3cccc2.CCCCCC 2012-05-16T19:28:46Z 2802 9-fluorenone O=C3c1ccccc1c2c3cccc2 hexane CCCCCC 0.100 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=hexane c1cc2cccc3c2c(c1)CC3.CCCCCC 2012-05-16T19:28:46Z 2803 acenaphthene c1cc2cccc3c2c(c1)CC3 hexane CCCCCC 0.394 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=hexane O=C(Nc1ccc(O)cc1)C.CCCCCC 2012-05-16T19:28:46Z 2804 acetaminophen O=C(Nc1ccc(O)cc1)C hexane CCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=hexane O=C(Nc1ccccc1)C.CCCCCC 2012-05-16T19:28:46Z 2805 acetanilide O=C(Nc1ccccc1)C hexane CCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=hexane c1ccc2cc3ccccc3cc2c1.CCCCCC 2012-05-16T19:28:46Z 2806 anthracene c1ccc2cc3ccccc3cc2c1 hexane CCCCCC 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=hexane CC(C)NCC(COc1ccc(cc1)CC(=O)N)O.CCCCCC 2012-05-16T19:28:46Z 2807 atenolol CC(C)NCC(COc1ccc(cc1)CC(=O)N)O hexane CCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=atenolol&solvent=hexane c1ccc(cc1)/C=N/c2ccccc2.CCCCCC 2012-05-16T19:28:46Z 2808 benzalaniline c1ccc(cc1)/C=N/c2ccccc2 hexane CCCCCC 1.469 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzalaniline&solvent=hexane c1ccc(cc1)C(=O)C(=O)c2ccccc2.CCCCCC 2012-05-16T19:28:46Z 2809 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 hexane CCCCCC 0.044 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=hexane O=C(O)c1ccccc1.CCCCCC 2012-05-16T19:28:46Z 2810 benzoic acid O=C(O)c1ccccc1 hexane CCCCCC 0.075 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=hexane O=C(c1ccccc1)c2ccccc2.CCCCCC 2012-05-16T19:28:46Z 2811 benzophenone O=C(c1ccccc1)c2ccccc2 hexane CCCCCC 0.183 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzophenone&solvent=hexane c1ccc(cc1)c2ccccc2.CCCCCC 2012-05-16T19:28:46Z 2812 biphenyl c1ccc(cc1)c2ccccc2 hexane CCCCCC 0.948 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=hexane O=C(OC(C)(C)C)NCC(=O)O.CCCCCC 2012-05-16T19:28:46Z 2813 boc-glycine O=C(OC(C)(C)C)NCC(=O)O hexane CCCCCC 0.250 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-glycine&solvent=hexane c1ccc2c(c1)c3ccccc3[nH]2.CCCCCC 2012-05-16T19:28:46Z 2814 carbazole c1ccc2c(c1)c3ccccc3[nH]2 hexane CCCCCC 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbazole&solvent=hexane O=C2c1ccccc1C(=O)c3c2cccc3Cl.CCCCCC 2012-05-16T19:28:46Z 2815 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl hexane CCCCCC 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=hexane O=C(O)C=Cc1ccccc1.CCCCCC 2012-05-16T19:28:46Z 2816 cinnamic acid O=C(O)C=Cc1ccccc1 hexane CCCCCC 0.039 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=hexane O=C(O)/C=C/C.CCCCCC 2012-05-16T19:28:46Z 2817 crotonic acid O=C(O)/C=C/C hexane CCCCCC 1.070 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=crotonic+acid&solvent=hexane C1CCC(CC1)C(=O)O.CCCCCC 2012-05-16T19:28:46Z 2818 cyclohexanecarboxylic acid C1CCC(CC1)C(=O)O hexane CCCCCC 8.060 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cyclohexanecarboxylic+acid&solvent=hexane Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.CCCCCC 2012-05-16T19:28:46Z 2819 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F hexane CCCCCC 0.939 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=hexane O=S(=O)(c1ccccc1)c2ccccc2.CCCCCC 2012-05-16T19:28:46Z 2820 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 hexane CCCCCC 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=hexane Clc1ccc(NC(=O)N(C)C)cc1Cl.CCCCCC 2012-05-16T19:28:46Z 2821 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl hexane CCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=hexane c1c(c(cc(c1C)C)C)C.CCCCCC 2012-05-16T19:28:46Z 2822 durene c1c(c(cc(c1C)C)C)C hexane CCCCCC 1.603 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=hexane c1ccc-2c(c1)-c3cccc4c3c2ccc4.CCCCCC 2012-05-16T19:28:46Z 2823 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 hexane CCCCCC 0.112 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=hexane c1ccc-2c(c1)Cc3c2cccc3.CCCCCC 2012-05-16T19:28:46Z 2824 fluorene c1ccc-2c(c1)Cc3c2cccc3 hexane CCCCCC 0.238 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=hexane c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.CCCCCC 2012-05-16T19:28:46Z 2825 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl hexane CCCCCC 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=hexane ClC(Cl)(Cl)C(Cl)(Cl)Cl.CCCCCC 2012-05-16T19:28:46Z 2826 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl hexane CCCCCC 1.079 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=hexane O=C/3Oc2c(OC\C=C(/C)C)c1occc1cc2\C=C\3.CCCCCC 2012-05-16T19:28:46Z 2827 imperatorin O=C/3Oc2c(OC\C=C(/C)C)c1occc1cc2\C=C\3 hexane CCCCCC 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=imperatorin&solvent=hexane O=C(O)CCCCCCCCCCC.CCCCCC 2012-05-16T19:28:46Z 2828 lauric acid O=C(O)CCCCCCCCCCC hexane CCCCCC 1.666 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lauric+acid&solvent=hexane O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cc(O)cc3O.CCCCCC 2012-05-16T19:28:46Z 2829 luteolin O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cc(O)cc3O hexane CCCCCC 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=luteolin&solvent=hexane O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.CCCCCC 2012-05-16T19:28:46Z 2830 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C hexane CCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=hexane COC(=O)c1ccc(cc1)O.CCCCCC 2012-05-16T19:28:46Z 2831 methylparaben COC(=O)c1ccc(cc1)O hexane CCCCCC 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=hexane Clc1ccc(NC(=O)N(C)C)cc1.CCCCCC 2012-05-16T19:28:46Z 2832 monuron Clc1ccc(NC(=O)N(C)C)cc1 hexane CCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=hexane c1ccc2ccccc2c1.CCCCCC 2012-05-16T19:28:46Z 2833 naphthalene c1ccc2ccccc2c1 hexane CCCCCC 0.941 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=hexane Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.CCCCCC 2012-05-16T19:28:46Z 2834 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F hexane CCCCCC 0.790 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=hexane CCCCCCCCCCCCCCCC(=O)O.CCCCCC 2012-05-16T19:28:46Z 2835 palmitic acid CCCCCCCCCCCCCCCC(=O)O hexane CCCCCC 0.195 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=palmitic+acid&solvent=hexane c3cc2ccc1ccccc1c2cc3.CCCCCC 2012-05-16T19:28:46Z 2836 phenanthrene c3cc2ccc1ccccc1c2cc3 hexane CCCCCC 0.280 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=hexane O=Cc2cc3c(c1c2cccc1)cccc3.CCCCCC 2012-05-16T19:28:46Z 2837 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 hexane CCCCCC 0.070 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=hexane c1ccc2c(c1)Nc3ccccc3S2.CCCCCC 2012-05-16T19:28:46Z 2838 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 hexane CCCCCC 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=hexane Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5.CCCCCC 2012-05-16T19:28:46Z 2839 pimozide Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5 hexane CCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimozide&solvent=hexane OC(CNC(C)C)COc1cccc2c1ccn2.CCCCCC 2012-05-16T19:28:46Z 2840 pindolol OC(CNC(C)C)COc1cccc2c1ccn2 hexane CCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pindolol&solvent=hexane O=Cc1ccc2OCOc2c1.CCCCCC 2012-05-16T19:28:46Z 2841 piperonal O=Cc1ccc2OCOc2c1 hexane CCCCCC 0.150 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=piperonal&solvent=hexane c1cc2ccc3cccc4c3c2c(c1)cc4.CCCCCC 2012-05-16T19:28:46Z 2842 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 hexane CCCCCC 0.065 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=hexane O=C(O)c1ccccc1O.CCCCCC 2012-05-16T19:28:46Z 2843 salicylic acid O=C(O)c1ccccc1O hexane CCCCCC 0.004 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=hexane O=C(O)CCCCCCCCCCCCCCCCC.CCCCCC 2012-05-16T19:28:46Z 2844 stearic acid O=C(O)CCCCCCCCCCCCCCCCC hexane CCCCCC 0.046 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=stearic+acid&solvent=hexane S1c3c(Sc2c1cccc2)cccc3.CCCCCC 2012-05-16T19:28:46Z 2845 thianthrene S1c3c(Sc2c1cccc2)cccc3 hexane CCCCCC 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=hexane O=C1c3c(Sc2c1cccc2)cccc3.CCCCCC 2012-05-16T19:28:46Z 2846 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 hexane CCCCCC 0.002 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=hexane O=S(=O)(c1ccc(cc1)C)NC(=O)NCCCC.CCCCCC 2012-05-16T19:28:46Z 2847 tolbutamide O=S(=O)(c1ccc(cc1)C)NC(=O)NCCCC hexane CCCCCC 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tolbutamide&solvent=hexane c1ccc(cc1)/C=C/c2ccccc2.CCCCCC 2012-05-16T19:28:46Z 2848 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 hexane CCCCCC 0.075 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=hexane Clc2ccc(OC(C(=O)C(C)(C)C)n1ncnc1)cc2.CCCCCC 2012-05-16T19:28:46Z 2849 triadimefon Clc2ccc(OC(C(=O)C(C)(C)C)n1ncnc1)cc2 hexane CCCCCC 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triadimefon&solvent=hexane O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C.CCCCCC 2012-05-16T19:28:46Z 2850 Ugi product 206B(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C hexane CCCCCC 0.000 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+206B(UC)&solvent=hexane COc1cc(ccc1OC)C=O.CCCCCC 2012-05-16T19:28:46Z 2851 veratraldehyde COc1cc(ccc1OC)C=O hexane CCCCCC 0.070 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=veratraldehyde&solvent=hexane O2c1ccccc1Cc3c2cccc3.CCCCCC 2012-05-16T19:28:46Z 2852 xanthene O2c1ccccc1Cc3c2cccc3 hexane CCCCCC 0.230 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=hexane COC(=O)c1ccc(cc1)O.O=C(OCCCCCC)C 2012-05-16T19:28:46Z 2853 methylparaben COC(=O)c1ccc(cc1)O hexyl acetate O=C(OCCCCCC)C 0.730 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=hexyl+acetate O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC.O=C(OCC(C)C)C 2012-05-16T19:28:46Z 2854 lovastatin O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC isobutyl acetate O=C(OCC(C)C)C 0.040 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lovastatin&solvent=isobutyl+acetate c1ccc2ccccc2c1.O=C(OCC(C)C)C 2012-05-16T19:28:46Z 2855 naphthalene c1ccc2ccccc2c1 isobutyl acetate O=C(OCC(C)C)C 2.317 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=isobutyl+acetate [O-][N+](=O)c2cccc1ccccc12.CC(C)CCCCC 2012-05-16T19:28:46Z 2856 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 isooctane CC(C)CCCCC 0.102 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=isooctane c1c(c(cc(c1C)C)C)C.CC(C)CCCCC 2012-05-16T19:28:46Z 2857 durene c1c(c(cc(c1C)C)C)C isooctane CC(C)CCCCC 1.274 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=isooctane c1ccc-2c(c1)Cc3c2cccc3.CC(C)CCCCC 2012-05-16T19:28:46Z 2858 fluorene c1ccc-2c(c1)Cc3c2cccc3 isooctane CC(C)CCCCC 0.158 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=isooctane c1ccc2c(c1)Nc3ccccc3S2.CC(C)CCCCC 2012-05-16T19:28:46Z 2859 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 isooctane CC(C)CCCCC 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=isooctane O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C.O=C(OC(C)C)C 2012-05-16T19:28:46Z 2860 artemisinin O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C isopropyl acetate O=C(OC(C)C)C 0.103 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=artemisinin&solvent=isopropyl+acetate O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC.O=C(OC(C)C)C 2012-05-16T19:28:46Z 2861 lovastatin O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC isopropyl acetate O=C(OC(C)C)C 0.044 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lovastatin&solvent=isopropyl+acetate O=C(Nc1ccc(O)cc1)C.O=C(OC(C)C)CCCCCCCCCCCCC 2012-05-16T19:28:46Z 2862 acetaminophen O=C(Nc1ccc(O)cc1)C isopropyl myristate O=C(OC(C)C)CCCCCCCCCCCCC 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=isopropyl+myristate O=C(Nc1ccccc1)C.O=C(OC(C)C)CCCCCCCCCCCCC 2012-05-16T19:28:46Z 2863 acetanilide O=C(Nc1ccccc1)C isopropyl myristate O=C(OC(C)C)CCCCCCCCCCCCC 0.072 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=isopropyl+myristate O=C(OCC)c1ccc(N)cc1.O=C(OC(C)C)CCCCCCCCCCCCC 2012-05-16T19:28:46Z 2864 benzocaine O=C(OCC)c1ccc(N)cc1 isopropyl myristate O=C(OC(C)C)CCCCCCCCCCCCC 0.207 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=isopropyl+myristate O=C(OCC)c1ccc(N)cc1.O=C(OC(C)C)CCCCCCCCCCCCC 2012-05-16T19:28:46Z 2865 ethyl 4-aminobenzoate O=C(OCC)c1ccc(N)cc1 isopropyl myristate O=C(OC(C)C)CCCCCCCCCCCCC 0.207 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethyl+4-aminobenzoate&solvent=isopropyl+myristate O=C(O)C(c1ccc(cc1)CC(C)C)C.O=C(OC(C)C)CCCCCCCCCCCCC 2012-05-16T19:28:46Z 2866 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C isopropyl myristate O=C(OC(C)C)CCCCCCCCCCCCC 0.585 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=isopropyl+myristate O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.O=C(OC(C)C)CCCCCCCCCCCCC 2012-05-16T19:28:46Z 2867 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C isopropyl myristate O=C(OC(C)C)CCCCCCCCCCCCC 0.021 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=isopropyl+myristate c1cc2cccc3c2c(c1)CC3.Cc1cccc(c1)C 2012-05-16T19:28:46Z 2868 acenaphthene c1cc2cccc3c2c(c1)CC3 m-xylene Cc1cccc(c1)C 1.324 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=m-xylene c1ccc2cc3ccccc3cc2c1.Cc1cccc(c1)C 2012-05-16T19:28:46Z 2869 anthracene c1ccc2cc3ccccc3cc2c1 m-xylene Cc1cccc(c1)C 0.065 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=m-xylene O=C(O)C=Cc1ccccc1.Cc1cccc(c1)C 2012-05-16T19:28:46Z 2870 cinnamic acid O=C(O)C=Cc1ccccc1 m-xylene Cc1cccc(c1)C 0.231 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=m-xylene O=P(c1ccccc1)(c2ccccc2)C.Cc1cccc(c1)C 2012-05-16T19:28:46Z 2871 methyl diphenylphosphine oxide O=P(c1ccccc1)(c2ccccc2)C m-xylene Cc1cccc(c1)C 0.135 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+diphenylphosphine+oxide&solvent=m-xylene c1cc2ccc3cccc4c3c2c(c1)cc4.Cc1cccc(c1)C 2012-05-16T19:28:46Z 2872 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 m-xylene Cc1cccc(c1)C 0.566 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=m-xylene O=C1c3c(Sc2c1cccc2)cccc3.Cc1cccc(c1)C 2012-05-16T19:28:46Z 2873 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 m-xylene Cc1cccc(c1)C 0.045 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=m-xylene c1ccc(cc1)/C=C/c2ccccc2.Cc1cccc(c1)C 2012-05-16T19:28:46Z 2874 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 m-xylene Cc1cccc(c1)C 0.456 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=m-xylene C1C2CC3CC1CC(C2)(C3)N.OC 2012-05-16T19:28:46Z 2875 1-adamantylamine C1C2CC3CC1CC(C2)(C3)N methanol OC 0.360 amine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-adamantylamine&solvent=methanol O=C(O)Cn1nnnc1.CO 2012-05-16T19:28:46Z 2876 1-H-tetrazole-1-acetic acid O=C(O)Cn1nnnc1 methanol CO 3.642 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-H-tetrazole-1-acetic+acid&solvent=methanol NCCCCCCCCCCCCCCCCCC.OC 2012-05-16T19:28:46Z 2877 1-octadecylamine NCCCCCCCCCCCCCCCCCC methanol OC 1.680 amine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-octadecylamine&solvent=methanol O1COCOC1.CO 2012-05-16T19:28:46Z 2878 1,3,5-trioxane O1COCOC1 methanol CO 3.562 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,3,5-trioxane&solvent=methanol O=C(OCC)C1C(=O)CC(C(=O)C1)C(=O)OCC.CO 2012-05-16T19:28:46Z 2879 1,4-cyclohexanedione-2,5-dicarboxylate O=C(OCC)C1C(=O)CC(C(=O)C1)C(=O)OCC methanol CO 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-cyclohexanedione-2,5-dicarboxylate&solvent=methanol O=Cc2c1c(cccc1)c(Cl)c3c2cccc3.OC 2012-05-16T19:28:46Z 2880 10-chloro-9-anthraldehyde O=Cc2c1c(cccc1)c(Cl)c3c2cccc3 methanol OC 0.003 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=10-chloro-9-anthraldehyde&solvent=methanol O=C(/C1=C/C[C@@H]2[C@@]1(CC[C@@H]3[C@@]4(C(=C/C[C@@H]23)\C[C@@H](O)CC4)C)C)C.CO 2012-05-16T19:28:46Z 2881 16-dehydropregnenolone O=C(/C1=C/C[C@@H]2[C@@]1(CC[C@@H]3[C@@]4(C(=C/C[C@@H]23)\C[C@@H](O)CC4)C)C)C methanol CO 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=16-dehydropregnenolone&solvent=methanol c1c(cc(c(c1Cl)OCCBr)Cl)Cl.CO 2012-05-16T19:28:46Z 2882 2-(2,4,6-trichlorophenoxy)ethyl bromide c1c(cc(c(c1Cl)OCCBr)Cl)Cl methanol CO 0.204 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(2,4,6-trichlorophenoxy)ethyl+bromide&solvent=methanol O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC.CO 2012-05-16T19:28:46Z 2883 2-(4-ethylbenzoyl)benzoic acid O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC methanol CO 1.976 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(4-ethylbenzoyl)benzoic+acid&solvent=methanol Oc2ccc(N=Nc1ccccc1C(O)=O)cc2.OC 2012-05-16T19:28:46Z 2884 2-(4-hydroxyphenyl-azo)benzoic acid Oc2ccc(N=Nc1ccccc1C(O)=O)cc2 methanol OC 0.059 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(4-hydroxyphenyl-azo)benzoic+acid&solvent=methanol O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2.CO 2012-05-16T19:28:46Z 2885 2-amino-5-nitrobenzophenone O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2 methanol CO 0.040 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-amino-5-nitrobenzophenone&solvent=methanol Clc1c(O)c(cc([N+]([O-])=O)c1O)[N+]([O-])=O.CO 2012-05-16T19:28:46Z 2886 2-chloro-4,6-dinitroresorcinol Clc1c(O)c(cc([N+]([O-])=O)c1O)[N+]([O-])=O methanol CO 0.037 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-4,6-dinitroresorcinol&solvent=methanol c1cc(ncc1CCl)Cl.CO 2012-05-16T19:28:46Z 2887 2-chloro-5-chloromethylpyridine c1cc(ncc1CCl)Cl methanol CO 0.141 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-chloromethylpyridine&solvent=methanol O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.CO 2012-05-16T19:28:46Z 2888 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC methanol CO 0.032 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=methanol O=CC(CC)CC.OC 2012-05-16T19:28:46Z 2889 2-ethylbutyraldehyde O=CC(CC)CC methanol OC 8.130 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylbutyraldehyde&solvent=methanol O=C(O)C(CC)CCCC.OC 2012-05-16T19:28:46Z 2890 2-ethylhexanoic acid O=C(O)C(CC)CCCC methanol OC 6.260 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylhexanoic+acid&solvent=methanol O=Cc1c2c(ccc1OC)cccc2.OC 2012-05-16T19:28:46Z 2891 2-methoxy-1-naphthaldehyde O=Cc1c2c(ccc1OC)cccc2 methanol OC 1.260 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxy-1-naphthaldehyde&solvent=methanol O=C(O)c1ccccc1OC.OC 2012-05-16T19:28:46Z 2892 2-methoxybenzoic acid O=C(O)c1ccccc1OC methanol OC 1.820 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=methanol O=C(O)C(C)CC.OC 2012-05-16T19:28:46Z 2893 2-methyl butyric acid O=C(O)C(C)CC methanol OC 9.160 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl+butyric+acid&solvent=methanol O=C(O)/C=C/CCCCC.OC 2012-05-16T19:28:46Z 2894 2-octenoic acid O=C(O)/C=C/CCCCC methanol OC 6.640 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-octenoic+acid&solvent=methanol O=C(O)C(=O)CCC(=O)O.OC 2012-05-16T19:28:46Z 2895 2-oxopentanedioic acid O=C(O)C(=O)CCC(=O)O methanol OC 5.020 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-oxopentanedioic+acid&solvent=methanol O=C(O)C(c1ccccc1)CC.OC 2012-05-16T19:28:46Z 2896 2-phenylbutyric acid O=C(O)C(c1ccccc1)CC methanol OC 6.638 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-phenylbutyric+acid&solvent=methanol c1ccccc1C(C)C=O.OC 2012-05-16T19:28:46Z 2897 2-phenylpropanal c1ccccc1C(C)C=O methanol OC 7.530 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-phenylpropanal&solvent=methanol c1ccccc1C(c1ccccc1)C(=O).OC 2012-05-16T19:28:46Z 2898 2,2-diphenylacetaldehyde c1ccccc1C(c1ccccc1)C(=O) methanol OC 5.640 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,2-diphenylacetaldehyde&solvent=methanol Clc2cc(Cl)cc(Cl)c2c1c(Cl)cc(Cl)cc1Cl.CO 2012-05-16T19:28:46Z 2899 2,2',4,4',6,6'-hexachlorobiphenyl Clc2cc(Cl)cc(Cl)c2c1c(Cl)cc(Cl)cc1Cl methanol CO 0.058 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,2',4,4',6,6'-hexachlorobiphenyl&solvent=methanol CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-].CO 2012-05-16T19:28:46Z 2900 2,3-dimethyl-2,3-dinitrobutane CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-] methanol CO 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-dimethyl-2,3-dinitrobutane&solvent=methanol O=Cc1ccc(C)cc1C.OC 2012-05-16T19:28:46Z 2901 2,4-dimethylbenzaldehyde O=Cc1ccc(C)cc1C methanol OC 7.170 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,4-dimethylbenzaldehyde&solvent=methanol Clc2cc(Cl)cc(Cl)c2c1ccccc1.CO 2012-05-16T19:28:46Z 2902 2,4,6-trichlorobiphenyl Clc2cc(Cl)cc(Cl)c2c1ccccc1 methanol CO 0.222 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,4,6-trichlorobiphenyl&solvent=methanol c1c(cc(c(c1Cl)O)Cl)Cl.CO 2012-05-16T19:28:46Z 2903 2,4,6-trichlorophenol c1c(cc(c(c1Cl)O)Cl)Cl methanol CO 5.554 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,4,6-trichlorophenol&solvent=methanol O=C(O)c1cc(O)ccc1O.CO 2012-05-16T19:28:46Z 2904 2,5-dihydroxybenzoic acid O=C(O)c1cc(O)ccc1O methanol CO 2.671 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,5-dihydroxybenzoic+acid&solvent=methanol c1cc(nc(c1)N)N.CO 2012-05-16T19:28:46Z 2905 2,6-diaminopyridine c1cc(nc(c1)N)N methanol CO 3.128 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,6-diaminopyridine&solvent=methanol O=C(O)c1cc(O)ccc1.CO 2012-05-16T19:28:46Z 2906 3-hydroxybenzoic acid O=C(O)c1cc(O)ccc1 methanol CO 2.067 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-hydroxybenzoic+acid&solvent=methanol C(CS)C(=O)O.OC 2012-05-16T19:28:46Z 2907 3-mercaptopropionic acid C(CS)C(=O)O methanol OC 11.480 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-mercaptopropionic+acid&solvent=methanol O=C(O)c1cc(ccc1)C.CO 2012-05-16T19:28:46Z 2908 3-methylbenzoic acid O=C(O)c1cc(ccc1)C methanol CO 2.680 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=methanol [O-][N+](=O)C1=N\C(=O)\N=N1.CO 2012-05-16T19:28:46Z 2909 3-nitro-1,2,4-triazol-5-one [O-][N+](=O)C1=N\C(=O)\N=N1 methanol CO 0.389 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitro-1,2,4-triazol-5-one&solvent=methanol O=[N+]([O-])c1cc(C(=O)O)ccc1.CO 2012-05-16T19:28:46Z 2910 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 methanol CO 3.666 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=methanol [O-][N+](=O)c1cccc2c1C(=O)NC2=O.CO 2012-05-16T19:28:46Z 2911 3-nitrophthalimide [O-][N+](=O)c1cccc2c1C(=O)NC2=O methanol CO 0.052 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalimide&solvent=methanol Cc1ccc(cc1C)C=O.OC 2012-05-16T19:28:46Z 2912 3,4-dimethylbenzaldehyde Cc1ccc(cc1C)C=O methanol OC 7.540 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,4-dimethylbenzaldehyde&solvent=methanol O=C(O)Cc1ccc2OCOc2c1.OC 2012-05-16T19:28:46Z 2913 3,4-methylendioxyphenylacetic acid O=C(O)Cc1ccc2OCOc2c1 methanol OC 0.940 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,4-methylendioxyphenylacetic+acid&solvent=methanol O=Cc1cc(OC)cc(OC)c1.OC 2012-05-16T19:28:46Z 2914 3,5-dimethoxybenzaldehyde O=Cc1cc(OC)cc(OC)c1 methanol OC 1.710 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dimethoxybenzaldehyde&solvent=methanol Cc1cc(C=O)cc(C)c1.OC 2012-05-16T19:28:46Z 2915 3,5-dimethylbenzaldehyde Cc1cc(C=O)cc(C)c1 methanol OC 7.440 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dimethylbenzaldehyde&solvent=methanol Clc1ccc(cc1Cl)C3c2ccccc2C(=O)CC3.CO 2012-05-16T19:28:46Z 2916 4-(3,4-dichlorophenyl)-1-tetralone Clc1ccc(cc1Cl)C3c2ccccc2C(=O)CC3 methanol CO 0.043 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-(3,4-dichlorophenyl)-1-tetralone&solvent=methanol c1cc(C=O)ccc1C(F)(F)F.OC 2012-05-16T19:28:46Z 2917 4-(trifluoromethyl)benzaldehyde c1cc(C=O)ccc1C(F)(F)F methanol OC 7.320 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-(trifluoromethyl)benzaldehyde&solvent=methanol O=C(Nc1ccc(cc1)C(=O)O)C.OC 2012-05-16T19:28:46Z 2918 4-acetamidobenzoic acid O=C(Nc1ccc(cc1)C(=O)O)C methanol OC 0.190 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-acetamidobenzoic+acid&solvent=methanol O=C(O)c1ccc(N)cc1.CO 2012-05-16T19:28:46Z 2919 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 methanol CO 1.227 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=methanol O=C(O)Cc1ccc(N)cc1.CO 2012-05-16T19:28:46Z 2920 4-aminophenylacetic acid O=C(O)Cc1ccc(N)cc1 methanol CO 0.026 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminophenylacetic+acid&solvent=methanol Brc2ccc(c1ccccc1)cc2.CO 2012-05-16T19:28:46Z 2921 4-bromobiphenyl Brc2ccc(c1ccccc1)cc2 methanol CO 0.148 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-bromobiphenyl&solvent=methanol O=Cc1ccc(Cl)cc1.OC 2012-05-16T19:28:46Z 2922 4-chlorobenzaldehyde O=Cc1ccc(Cl)cc1 methanol OC 3.550 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzaldehyde&solvent=methanol O=C(O)c1ccc(Cl)cc1.CO 2012-05-16T19:28:46Z 2923 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 methanol CO 0.191 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=methanol Clc2ccc(c1ccccc1)cc2.CO 2012-05-16T19:28:46Z 2924 4-chlorobiphenyl Clc2ccc(c1ccccc1)cc2 methanol CO 0.353 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobiphenyl&solvent=methanol Clc1ccc(cc1)CC(=O)O.OC 2012-05-16T19:28:46Z 2925 4-chlorophenylacetic acid Clc1ccc(cc1)CC(=O)O methanol OC 7.755 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorophenylacetic+acid&solvent=methanol O=CC=Cc1ccc(N(C)C)cc1.OC 2012-05-16T19:28:46Z 2926 4-dimethylamino cinnamaldehyde O=CC=Cc1ccc(N(C)C)cc1 methanol OC 0.072 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-dimethylamino+cinnamaldehyde&solvent=methanol O=Cc1ccc(N(C)C)cc1.OC 2012-05-16T19:28:46Z 2927 4-dimethylaminobenzaldehyde O=Cc1ccc(N(C)C)cc1 methanol OC 1.360 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-dimethylaminobenzaldehyde&solvent=methanol CCc1ccc(C=O)cc1.OC 2012-05-16T19:28:46Z 2928 4-ethylbenzaldehyde CCc1ccc(C=O)cc1 methanol OC 7.300 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-ethylbenzaldehyde&solvent=methanol O=C(O)c1ccc(F)cc1.OC 2012-05-16T19:28:46Z 2929 4-fluorobenzoic acid O=C(O)c1ccc(F)cc1 methanol OC 0.760 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-fluorobenzoic+acid&solvent=methanol O=Cc1ccc(O)c(c1)C.OC 2012-05-16T19:28:46Z 2930 4-hydroxy-3-methylbenzaldehyde O=Cc1ccc(O)c(c1)C methanol OC 2.782 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxy-3-methylbenzaldehyde&solvent=methanol O=Cc1ccc(O)cc1.OC 2012-05-16T19:28:46Z 2931 4-hydroxybenzaldehyde O=Cc1ccc(O)cc1 methanol OC 3.394 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzaldehyde&solvent=methanol O=C(O)c1ccc(O)cc1.CO 2012-05-16T19:28:46Z 2932 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 methanol CO 2.464 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=methanol O=C(O)Cc1ccc(O)cc1.CO 2012-05-16T19:28:46Z 2933 4-hydroxyphenylacetic acid O=C(O)Cc1ccc(O)cc1 methanol CO 4.056 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxyphenylacetic+acid&solvent=methanol c1cc(O)ccc1CC(=O)C(=O)O.OC 2012-05-16T19:28:46Z 2934 4-hydroxyphenylpyruvic acid c1cc(O)ccc1CC(=O)C(=O)O methanol OC 0.910 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxyphenylpyruvic+acid&solvent=methanol O=C(O)c1ccc(I)cc1.CO 2012-05-16T19:28:46Z 2935 4-iodobenzoic acid O=C(O)c1ccc(I)cc1 methanol CO 0.050 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-iodobenzoic+acid&solvent=methanol O=C(O)Cc1ccc(OC)cc1.OC 2012-05-16T19:28:46Z 2936 4-methoxyphenylacetic acid O=C(O)Cc1ccc(OC)cc1 methanol OC 2.500 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxyphenylacetic+acid&solvent=methanol O=C(O)c1ccc(cc1)C.OC 2012-05-16T19:28:46Z 2937 4-methylbenzoic acid O=C(O)c1ccc(cc1)C methanol OC 0.781 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methylbenzoic+acid&solvent=methanol O=[N+]([O-])c1ccc(C(=O)O)cc1.OC 2012-05-16T19:28:46Z 2938 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 methanol OC 0.180 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=methanol ClCc1ccc([N+]([O-])=O)cc1.CO 2012-05-16T19:28:46Z 2939 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 methanol CO 2.255 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=methanol c1cc(CC(=O)O)ccc1[N+](=O)[O-].OC 2012-05-16T19:28:46Z 2940 4-nitrophenylacetic acid c1cc(CC(=O)O)ccc1[N+](=O)[O-] methanol OC 1.290 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrophenylacetic+acid&solvent=methanol O=C(O)CCCc1ccccc1.OC 2012-05-16T19:28:46Z 2941 4-phenylbutyric acid O=C(O)CCCc1ccccc1 methanol OC 4.800 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-phenylbutyric+acid&solvent=methanol c1ccc(cc1)c2ccc(cc2)O.CO 2012-05-16T19:28:46Z 2942 4-phenylphenol c1ccc(cc1)c2ccc(cc2)O methanol CO 0.339 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-phenylphenol&solvent=methanol O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3.OC 2012-05-16T19:28:46Z 2943 4-pyrenebutanoic acid O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3 methanol OC 0.021 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-pyrenebutanoic+acid&solvent=methanol Oc2ccc(c1ccc(O)cc1)cc2.CO 2012-05-16T19:28:46Z 2944 4,4’-dihydroxybiphenyl Oc2ccc(c1ccc(O)cc1)cc2 methanol CO 0.339 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4,4’-dihydroxybiphenyl&solvent=methanol O=C(O)c1cc(ccc1O)N.CO 2012-05-16T19:28:46Z 2945 5-aminosalicylic acid O=C(O)c1cc(ccc1O)N methanol CO 0.042 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-aminosalicylic+acid&solvent=methanol C1=C(SC(=C1)Br)C=O.OC 2012-05-16T19:28:46Z 2946 5-bromothiophene-2-carbaldehyde C1=C(SC(=C1)Br)C=O methanol OC 9.220 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-bromothiophene-2-carbaldehyde&solvent=methanol O=C1NC(=O)NC(=O)C1(CCCC)CC.CO 2012-05-16T19:28:46Z 2947 5-butyl-5-ethylbarbituric acid O=C1NC(=O)NC(=O)C1(CCCC)CC methanol CO 2.497 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-butyl-5-ethylbarbituric+acid&solvent=methanol O=C1NC(=O)NC(=O)C1(CC(C)C)CC.CO 2012-05-16T19:28:46Z 2948 5-ethyl-5-(2-methylpropyl)-barbituric acid O=C1NC(=O)NC(=O)C1(CC(C)C)CC methanol CO 0.580 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-ethyl-5-(2-methylpropyl)-barbituric+acid&solvent=methanol O=C1NC(=O)NC(=O)C1(CCCCC)CC.CO 2012-05-16T19:28:46Z 2949 5-ethyl-5-pentylbarbituric acid O=C1NC(=O)NC(=O)C1(CCCCC)CC methanol CO 2.444 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-ethyl-5-pentylbarbituric+acid&solvent=methanol Fc1cc2c(cc1)NC(=O)C2=O.CO 2012-05-16T19:28:46Z 2950 5-fluoroisatin Fc1cc2c(cc1)NC(=O)C2=O methanol CO 0.151 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluoroisatin&solvent=methanol o1c(ccc1CN)C.OC 2012-05-16T19:28:46Z 2951 5-methylfurfurylamine o1c(ccc1CN)C methanol OC 8.970 amine y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-methylfurfurylamine&solvent=methanol C(CCC(=O)O)CCN.OC 2012-05-16T19:28:46Z 2952 6-aminocaproic acid C(CCC(=O)O)CCN methanol OC 0.060 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=6-aminocaproic+acid&solvent=methanol BrCCCCCCCC(=O)O.OC 2012-05-16T19:28:46Z 2953 8-bromooctanoic acid BrCCCCCCCC(=O)O methanol OC 3.279 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=8-bromooctanoic+acid&solvent=methanol O=C3c1ccccc1c2c3cccc2.OC 2012-05-16T19:28:46Z 2954 9-fluorenone O=C3c1ccccc1c2c3cccc2 methanol OC 0.370 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=methanol Clc2cccc(Cl)c2Nc1ccccc1CC(=O)OCC(=O)O.CO 2012-05-16T19:28:46Z 2955 aceclofenac Clc2cccc(Cl)c2Nc1ccccc1CC(=O)OCC(=O)O methanol CO 0.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac&solvent=methanol CC(C(=O)OC)NC(=O)COC(=O)CC1=CC=CC=CC1NC2=C(CC=CC=C2Cl)Cl.CO 2012-05-16T19:28:46Z 2956 aceclofenac alanine methyl aster CC(C(=O)OC)NC(=O)COC(=O)CC1=CC=CC=CC1NC2=C(CC=CC=C2Cl)Cl methanol CO 0.046 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac+alanine+methyl+aster&solvent=methanol CC(C)CC(C(=O)OC)NC(=O)COC(=O)CC1=CC=CC=CC1NC2=C(C=CC=CC2Cl)Cl.CO 2012-05-16T19:28:46Z 2957 aceclofenac leucine methyl aster CC(C)CC(C(=O)OC)NC(=O)COC(=O)CC1=CC=CC=CC1NC2=C(C=CC=CC2Cl)Cl methanol CO 0.049 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac+leucine+methyl+aster&solvent=methanol COC(=O)C1CCCN1C(=O)COC(=O)CC2=CC(C=CC=C2)NC3=C(C=CC=CC3Cl)Cl.CO 2012-05-16T19:28:46Z 2958 aceclofenac proline methyl aster COC(=O)C1CCCN1C(=O)COC(=O)CC2=CC(C=CC=C2)NC3=C(C=CC=CC3Cl)Cl methanol CO 0.054 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac+proline+methyl+aster&solvent=methanol CC(C)C(C(=O)OC)NC(=O)COC(=O)CC1=CC(C=CC=C1)NC2=C(C=CC=CC2Cl)Cl.CO 2012-05-16T19:28:46Z 2959 aceclofenac valine methyl aster CC(C)C(C(=O)OC)NC(=O)COC(=O)CC1=CC(C=CC=C1)NC2=C(C=CC=CC2Cl)Cl methanol CO 0.035 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac+valine+methyl+aster&solvent=methanol c1cc2cccc3c2c(c1)CC3.CO 2012-05-16T19:28:46Z 2960 acenaphthene c1cc2cccc3c2c(c1)CC3 methanol CO 0.132 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=methanol O=C(Nc1ccc(O)cc1)C.CO 2012-05-16T19:28:46Z 2961 acetaminophen O=C(Nc1ccc(O)cc1)C methanol CO 2.628 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=methanol O=C(Nc1ccccc1)C.CO 2012-05-16T19:28:46Z 2962 acetanilide O=C(Nc1ccccc1)C methanol CO 2.692 amide n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=methanol O=C(O)C.OC 2012-05-16T19:28:46Z 2963 acetic acid O=C(O)C methanol OC 17.470 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetic+acid&solvent=methanol O=C(Oc1ccccc1C(=O)O)C.OC 2012-05-16T19:28:46Z 2964 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C methanol OC 1.414 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=methanol C(CCC(=O)O)CC(=O)O.CO 2012-05-16T19:28:46Z 2965 adipic acid C(CCC(=O)O)CC(=O)O methanol CO 1.079 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adipic+acid&solvent=methanol O=C1NC(=O)NC(=O)C1(CCC(C)C)CC.CO 2012-05-16T19:28:46Z 2966 amobarbital O=C1NC(=O)NC(=O)C1(CCC(C)C)CC methanol CO 1.295 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=amobarbital&solvent=methanol Nc1ccccc1.OC 2012-05-16T19:28:46Z 2967 aniline Nc1ccccc1 methanol OC 10.970 amine y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aniline&solvent=methanol c1ccc2cc3ccccc3cc2c1.CO 2012-05-16T19:28:46Z 2968 anthracene c1ccc2cc3ccccc3cc2c1 methanol CO 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=methanol O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C.CO 2012-05-16T19:28:46Z 2969 artemisinin O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C methanol CO 0.034 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=artemisinin&solvent=methanol O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO.CO 2012-05-16T19:28:46Z 2970 ascorbic acid O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO methanol CO 0.264 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ascorbic+acid&solvent=methanol O=C(N)CC(N)C(=O)O.CO 2012-05-16T19:28:46Z 2971 asparagine O=C(N)CC(N)C(=O)O methanol CO 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=asparagine&solvent=methanol O=C(O)\C=C(/C)C.OC 2012-05-16T19:28:46Z 2972 B,B-dimethylacrylic acid O=C(O)\C=C(/C)C methanol OC 4.730 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=B,B-dimethylacrylic+acid&solvent=methanol O=C1NC(=O)NC(=O)C1(CC)CC.CO 2012-05-16T19:28:46Z 2973 barbital O=C1NC(=O)NC(=O)C1(CC)CC methanol CO 0.901 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=barbital&solvent=methanol c1ccc(cc1)/C=N/c2ccccc2.OC 2012-05-16T19:28:46Z 2974 benzalaniline c1ccc(cc1)/C=N/c2ccccc2 methanol OC 1.480 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzalaniline&solvent=methanol c1ccccc1C=O.OC 2012-05-16T19:28:46Z 2975 benzaldehyde c1ccccc1C=O methanol OC 9.850 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzaldehyde&solvent=methanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.CO 2012-05-16T19:28:46Z 2976 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 methanol CO 0.186 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=methanol c1ccc2c(c1)[nH]cn2.CO 2012-05-16T19:28:46Z 2977 benzimidazole c1ccc2c(c1)[nH]cn2 methanol CO 2.781 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=methanol c1ccccc1C(=O)O.OC 2012-05-16T19:28:46Z 2978 benzoic acid c1ccccc1C(=O)O methanol OC 2.867 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=methanol O=C(O)c1ccc2nnnc2c1.OC 2012-05-16T19:28:46Z 2979 benzotriazole-5-carboxylic acid O=C(O)c1ccc2nnnc2c1 methanol OC 0.036 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzotriazole-5-carboxylic+acid&solvent=methanol NCc1ccccc1.OC 2012-05-16T19:28:46Z 2980 benzylamine NCc1ccccc1 methanol OC 9.160 amine y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzylamine&solvent=methanol O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5.CO 2012-05-16T19:28:46Z 2981 betulinic acid O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5 methanol CO 0.008 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=betulinic+acid&solvent=methanol c1cc(ccc1)c2ccccc2.CO 2012-05-16T19:28:46Z 2982 biphenyl c1cc(ccc1)c2ccccc2 methanol CO 0.421 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=methanol O=C(OC(C)(C)C)NCC(=O)O.OC 2012-05-16T19:28:46Z 2983 boc-glycine O=C(OC(C)(C)C)NCC(=O)O methanol OC 4.725 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-glycine&solvent=methanol O=C(OC(C)(C)C)N[C@H](C(=O)O)CO.OC 2012-05-16T19:28:46Z 2984 boc-serine O=C(OC(C)(C)C)N[C@H](C(=O)O)CO methanol OC 3.620 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-serine&solvent=methanol O=C1NC(=O)NC(=O)C1(C(C)CC)CC.CO 2012-05-16T19:28:46Z 2985 butabarbital O=C1NC(=O)NC(=O)C1(C(C)CC)CC methanol CO 0.622 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butabarbital&solvent=methanol O=C(OCCCC)c1ccc(O)cc1.CO 2012-05-16T19:28:46Z 2986 butylparaben O=C(OCCCC)c1ccc(O)cc1 methanol CO 3.881 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butylparaben&solvent=methanol CCCC(=O)O.OC 2012-05-16T19:28:46Z 2987 butyric acid CCCC(=O)O methanol OC 10.940 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butyric+acid&solvent=methanol O=C(O)C1CCC(C(=O)O)(C)C1(C)C.OC 2012-05-16T19:28:46Z 2988 camphoric acid O=C(O)C1CCC(C(=O)O)(C)C1(C)C methanol OC 2.750 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=camphoric+acid&solvent=methanol O=C(N)N3c1ccccc1\C=C/c2c3cccc2.CO 2012-05-16T19:28:46Z 2989 carbamazepine O=C(N)N3c1ccccc1\C=C/c2c3cccc2 methanol CO 0.306 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbamazepine&solvent=methanol O=S(=O)(c3ccc(n1nc(cc1c2ccc(cc2)C)C(F)(F)F)cc3)N.CO 2012-05-16T19:28:46Z 2990 celecoxib O=S(=O)(c3ccc(n1nc(cc1c2ccc(cc2)C)C(F)(F)F)cc3)N methanol CO 0.299 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=celecoxib&solvent=methanol ClCC(O)=O.OC 2012-05-16T19:28:46Z 2991 chloroacetic acid ClCC(O)=O methanol OC 9.450 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroacetic+acid&solvent=methanol O=C2c1ccccc1C(=O)c3c2cccc3Cl.CO 2012-05-16T19:28:46Z 2992 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl methanol CO 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=methanol C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C.CO 2012-05-16T19:28:46Z 2993 cholesterol C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C methanol CO 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cholesterol&solvent=methanol N#CN\C(=N/C)NCCSCc1ncnc1C.CO 2012-05-16T19:28:46Z 2994 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C methanol CO 0.569 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=methanol O=C(O)C=Cc1ccccc1.OC 2012-05-16T19:28:46Z 2995 cinnamic acid O=C(O)C=Cc1ccccc1 methanol OC 1.332 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=methanol O=C(O)CC(O)(C(=O)O)CC(=O)O.OC 2012-05-16T19:28:46Z 2996 citric acid anhydrous O=C(O)CC(O)(C(=O)O)CC(=O)O methanol OC 3.080 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=citric+acid+anhydrous&solvent=methanol O=C(O)CC(O)(C(=O)O)CC(=O)O.OC 2012-05-16T19:28:46Z 2997 citric acid monohydrate O=C(O)CC(O)(C(=O)O)CC(=O)O methanol OC 2.267 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=citric+acid+monohydrate&solvent=methanol CC=CC=O.OC 2012-05-16T19:28:46Z 2998 crotonaldehyde CC=CC=O methanol OC 12.170 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=crotonaldehyde&solvent=methanol O=C(O)/C=C/C.OC 2012-05-16T19:28:46Z 2999 crotonic acid O=C(O)/C=C/C methanol OC 7.620 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=crotonic+acid&solvent=methanol C1CCC(CC1)C=O.OC 2012-05-16T19:28:46Z 3000 cyclohexanecarbaldehyde C1CCC(CC1)C=O methanol OC 8.290 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cyclohexanecarbaldehyde&solvent=methanol C1CCC(CC1)C(=O)O.OC 2012-05-16T19:28:46Z 3001 cyclohexanecarboxylic acid C1CCC(CC1)C(=O)O methanol OC 8.060 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cyclohexanecarboxylic+acid&solvent=methanol C1CCC(CC1)CCC(=O)O.OC 2012-05-16T19:28:46Z 3002 cyclohexanepropionic acid C1CCC(CC1)CCC(=O)O methanol OC 5.840 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cyclohexanepropionic+acid&solvent=methanol NC1CCCCC1.OC 2012-05-16T19:28:46Z 3003 cyclohexylamine NC1CCCCC1 methanol OC 8.740 amine y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cyclohexylamine&solvent=methanol O[C@H]1[C@H](O)[C@H](OC(O)[C@@H]1O)CO.OC 2012-05-16T19:28:46Z 3004 D-glucose O[C@H]1[C@H](O)[C@H](OC(O)[C@@H]1O)CO methanol OC 0.037 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=D-glucose&solvent=methanol O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO.OC 2012-05-16T19:28:46Z 3005 D-mannitol O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO methanol OC 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=D-mannitol&solvent=methanol O=C(O)CNc1ccc(O)cc1.CO 2012-05-16T19:28:46Z 3006 D-p-hydroxyphenylglycine O=C(O)CNc1ccc(O)cc1 methanol CO 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=D-p-hydroxyphenylglycine&solvent=methanol O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.CO 2012-05-16T19:28:46Z 3007 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 methanol CO 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=methanol Clc2cccc(Cl)c2Nc1ccccc1CC(=O)O.CO 2012-05-16T19:28:46Z 3008 diclofenac Clc2cccc(Cl)c2Nc1ccccc1CC(=O)O methanol CO 0.142 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diclofenac&solvent=methanol Fc1ccc(cc1)N\3c2cc(c(F)cc2C(=O)C(/C(=O)O)=C/3)N4CCN(C)CC4.CO 2012-05-16T19:28:46Z 3009 difloxacin Fc1ccc(cc1)N\3c2cc(c(F)cc2C(=O)C(/C(=O)O)=C/3)N4CCN(C)CC4 methanol CO 0.165 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=difloxacin&solvent=methanol O=C(O)c1cc(ccc1O)c2ccc(F)cc2F.CO 2012-05-16T19:28:46Z 3010 diflunisal O=C(O)c1cc(ccc1O)c2ccc(F)cc2F methanol CO 0.355 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diflunisal&solvent=methanol O=C(OC)\C=C\C(=O)OC.CO 2012-05-16T19:28:46Z 3011 dimethyl fumarate O=C(OC)\C=C\C(=O)OC methanol CO 0.182 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dimethyl+fumarate&solvent=methanol c1ccc(cc1)OC(=O)Oc2ccccc2.CO 2012-05-16T19:28:46Z 3012 diphenyl carbonate c1ccc(cc1)OC(=O)Oc2ccccc2 methanol CO 0.343 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+carbonate&solvent=methanol O=S(=O)(c1ccccc1)c2ccccc2.CO 2012-05-16T19:28:46Z 3013 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 methanol CO 0.114 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=methanol O=C(O)C(c1ccccc1)c2ccccc2.OC 2012-05-16T19:28:46Z 3014 diphenylacetic acid O=C(O)C(c1ccccc1)c2ccccc2 methanol OC 1.270 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenylacetic+acid&solvent=methanol Clc1ccc(NC(=O)N(C)C)cc1Cl.CO 2012-05-16T19:28:46Z 3015 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl methanol CO 0.186 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=methanol c1c(c(cc(c1C)C)C)C.CO 2012-05-16T19:28:46Z 3016 durene c1c(c(cc(c1C)C)C)C methanol CO 0.247 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=methanol O=C1Oc3c2c4c1cc(O)c(O)c4OC(=O)c2cc(O)c3O.CO 2012-05-16T19:28:46Z 3017 ellagic acid O=C1Oc3c2c4c1cc(O)c(O)c4OC(=O)c2cc(O)c3O methanol CO 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ellagic+acid&solvent=methanol O=C(OCC)c1ccc(O)cc1.CO 2012-05-16T19:28:46Z 3018 ethylparaben O=C(OCC)c1ccc(O)cc1 methanol CO 2.450 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethylparaben&solvent=methanol O=C(Nc1ccccc1)N(C)C.CO 2012-05-16T19:28:46Z 3019 fenuron O=C(Nc1ccccc1)N(C)C methanol CO 0.022 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fenuron&solvent=methanol O=C3[C@]2(CC[C@@H]1[C@@]4(C(=C/C[C@H]1[C@@H]2C[C@H]3F)\CCCC4)C)C.CO 2012-05-16T19:28:46Z 3020 fluasterone O=C3[C@]2(CC[C@@H]1[C@@]4(C(=C/C[C@H]1[C@@H]2C[C@H]3F)\CCCC4)C)C methanol CO 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluasterone&solvent=methanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.CO 2012-05-16T19:28:46Z 3021 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 methanol CO 0.065 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=methanol c1ccc-2c(c1)Cc3c2cccc3.CO 2012-05-16T19:28:46Z 3022 fluorene c1ccc-2c(c1)Cc3c2cccc3 methanol CO 0.104 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=methanol O=CO.OC 2012-05-16T19:28:46Z 3023 formic acid O=CO methanol OC 26.500 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=formic+acid&solvent=methanol O=Cc1ccco1.OC 2012-05-16T19:28:46Z 3024 furfuraldehyde O=Cc1ccco1 methanol OC 12.020 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furfuraldehyde&solvent=methanol o1c(ccc1)CN.OC 2012-05-16T19:28:46Z 3025 furfurylamine o1c(ccc1)CN methanol OC 11.315 amine y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furfurylamine&solvent=methanol OC(=O)c1ccco1.OC 2012-05-16T19:28:46Z 3026 furoic acid OC(=O)c1ccco1 methanol OC 4.123 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furoic+acid&solvent=methanol O=C(O)CN.CO 2012-05-16T19:28:46Z 3027 glycine O=C(O)CN methanol CO 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=glycine&solvent=methanol O=C(OC)CN.OC 2012-05-16T19:28:46Z 3028 glycine methyl ester O=C(OC)CN methanol OC 1.320 amine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=glycine+methyl+ester&solvent=methanol Fc1ccc(cc1)C(=O)CCCN3CCC(O)(c2ccc(Cl)cc2)CC3.CO 2012-05-16T19:28:46Z 3029 haloperidol Fc1ccc(cc1)C(=O)CCCN3CCC(O)(c2ccc(Cl)cc2)CC3 methanol CO 0.036 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=methanol O=C2c3c(O[C@H](c1ccc(OC)c(O)c1)C2)cc(O)cc3O.CO 2012-05-16T19:28:46Z 3030 hesperetin O=C2c3c(O[C@H](c1ccc(OC)c(O)c1)C2)cc(O)cc3O methanol CO 0.106 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hesperetin&solvent=methanol c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.CO 2012-05-16T19:28:46Z 3031 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl methanol CO 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=methanol CCCCCC=O.OC 2012-05-16T19:28:46Z 3032 hexanaldehyde CCCCCC=O methanol OC 8.330 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexanaldehyde&solvent=methanol CCCCCC(=O)O.OC 2012-05-16T19:28:46Z 3033 hexanoic acid CCCCCC(=O)O methanol OC 7.980 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexanoic+acid&solvent=methanol Oc1ccc(O)cc1.CO 2012-05-16T19:28:46Z 3034 hydroquinone Oc1ccc(O)cc1 methanol CO 2.650 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydroquinone&solvent=methanol O=C(O)C(c1ccc(cc1)CC(C)C)C.OC 2012-05-16T19:28:46Z 3035 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C methanol OC 0.858 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=methanol [O-][N+](=O)NC/1=N/CCN\1Cc2cnc(Cl)cc2.CO 2012-05-16T19:28:46Z 3036 imidacloprid [O-][N+](=O)NC/1=N/CCN\1Cc2cnc(Cl)cc2 methanol CO 0.034 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=imidacloprid&solvent=methanol O=C/3Oc2c(OC\C=C(/C)C)c1occc1cc2\C=C\3.CO 2012-05-16T19:28:46Z 3037 imperatorin O=C/3Oc2c(OC\C=C(/C)C)c1occc1cc2\C=C\3 methanol CO 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=imperatorin&solvent=methanol O=C(NN)c1ccncc1.CO 2012-05-16T19:28:46Z 3038 isoniazid O=C(NN)c1ccncc1 methanol CO 0.245 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isoniazid&solvent=methanol c1cnccc1C(=O)O.CO 2012-05-16T19:28:46Z 3039 isonicotinic acid c1cnccc1C(=O)O methanol CO 0.014 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isonicotinic+acid&solvent=methanol O=C(O)c1cccc(C(=O)O)c1.CO 2012-05-16T19:28:46Z 3040 isophthalic acid O=C(O)c1cccc(C(=O)O)c1 methanol CO 0.088 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isophthalic+acid&solvent=methanol CC(C)CC(=O)O.OC 2012-05-16T19:28:46Z 3041 isovaleric acid CC(C)CC(=O)O methanol OC 9.060 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isovaleric+acid&solvent=methanol O=C(O)\C(=C)CC(=O)O.CO 2012-05-16T19:28:46Z 3042 itaconic acid O=C(O)\C(=C)CC(=O)O methanol CO 2.264 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=itaconic+acid&solvent=methanol O=C(O)C(c2cc(C(=O)c1ccccc1)ccc2)C.CO 2012-05-16T19:28:46Z 3043 ketoprofen O=C(O)C(c2cc(C(=O)c1ccccc1)ccc2)C methanol CO 0.834 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=methanol C(CC(=O)O)[C@@H](C(=O)O)N.CO 2012-05-16T19:28:46Z 3044 L-glutamic acid C(CC(=O)O)[C@@H](C(=O)O)N methanol CO 0.001 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=L-glutamic+acid&solvent=methanol O=C(O)[C@@H](N)Cc1cncn1.CO 2012-05-16T19:28:46Z 3045 L-histidine O=C(O)[C@@H](N)Cc1cncn1 methanol CO 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=L-histidine&solvent=methanol c1ccc(cc1)C[C@@H](C(=O)O)N.CO 2012-05-16T19:28:46Z 3046 L-phenylalanine c1ccc(cc1)C[C@@H](C(=O)O)N methanol CO 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=L-phenylalanine&solvent=methanol CCCCCC=CCC=CCCCCCCCC(=O)O.OC 2012-05-16T19:28:46Z 3047 linoleic acid CCCCCC=CCC=CCCCCCCCC(=O)O methanol OC 3.220 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=linoleic+acid&solvent=methanol O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC.CO 2012-05-16T19:28:46Z 3048 lovastatin O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC methanol CO 0.075 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lovastatin&solvent=methanol O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cc(O)cc3O.CO 2012-05-16T19:28:46Z 3049 luteolin O=C\1c3c(O/C(=C/1)c2ccc(O)c(O)c2)cc(O)cc3O methanol CO 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=luteolin&solvent=methanol COc1cc(C=O)ccc1.OC 2012-05-16T19:28:46Z 3050 m-anisaldehyde COc1cc(C=O)ccc1 methanol OC 8.200 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=m-anisaldehyde&solvent=methanol C(=CC(=O)O)C(=O)O.OC 2012-05-16T19:28:46Z 3051 maleic acid C(=CC(=O)O)C(=O)O methanol OC 3.817 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=maleic+acid&solvent=methanol O=C(O)C(O)c1ccccc1.OC 2012-05-16T19:28:46Z 3052 mandelic acid O=C(O)C(O)c1ccccc1 methanol OC 3.620 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=mandelic+acid&solvent=methanol Cc1cnc(s1)NC(=O)C\3=C(/O)c2ccccc2S(=O)(=O)N/3C.CO 2012-05-16T19:28:46Z 3053 meloxicam Cc1cnc(s1)NC(=O)C\3=C(/O)c2ccccc2S(=O)(=O)N/3C methanol CO 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=methanol CC(=C)C(=O)O.OC 2012-05-16T19:28:46Z 3054 methacrylic acid CC(=C)C(=O)O methanol OC 11.790 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methacrylic+acid&solvent=methanol COCC(=O)O.OC 2012-05-16T19:28:46Z 3055 methoxyacetic acid COCC(=O)O methanol OC 13.030 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methoxyacetic+acid&solvent=methanol O=C(OC)c1ccc(O)cc1.CO 2012-05-16T19:28:46Z 3056 methylparaben O=C(OC)c1ccc(O)cc1 methanol CO 2.350 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=methanol N\C1=C\C(=N/C(=N)N1O)N2CCCCC2.CO 2012-05-16T19:28:46Z 3057 minoxidil N\C1=C\C(=N/C(=N)N1O)N2CCCCC2 methanol CO 0.237 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=minoxidil&solvent=methanol Clc1ccc(NC(=O)N(C)C)cc1.CO 2012-05-16T19:28:46Z 3058 monuron Clc1ccc(NC(=O)N(C)C)cc1 methanol CO 0.302 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=methanol CN(C)c1ccc(cc1)C=Nc2ccccc2.CO 2012-05-16T19:28:46Z 3059 N-(4-Dimethylaminobenzylidene)aniline CN(C)c1ccc(cc1)C=Nc2ccccc2 methanol CO 0.134 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-(4-Dimethylaminobenzylidene)aniline&solvent=methanol COc1ccc(cc1)C=Nc2ccccc2.CO 2012-05-16T19:28:46Z 3060 N-(4-methoxybenzylidene)aniline COc1ccc(cc1)C=Nc2ccccc2 methanol CO 0.909 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-(4-methoxybenzylidene)aniline&solvent=methanol O=C(O)[C@H]2N(C(=O)OCc1ccccc1)CCC2.OC 2012-05-16T19:28:46Z 3061 N-Cbz-L-proline O=C(O)[C@H]2N(C(=O)OCc1ccccc1)CCC2 methanol OC 4.260 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-Cbz-L-proline&solvent=methanol C1(=CC=CC=C1)N(O)C(C2=CC(=C(C=C2)C)[N+](=O)[O-])=O.CO 2012-05-16T19:28:46Z 3062 N-phenyl-4-methyl-3-nitrobenzohydroxamic acid C1(=CC=CC=C1)N(O)C(C2=CC(=C(C=C2)C)[N+](=O)[O-])=O methanol CO 0.100 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenyl-4-methyl-3-nitrobenzohydroxamic+acid&solvent=methanol [O-][N+](=O)c2ccc(C(=O)N(O)c1ccccc1)cc2.CO 2012-05-16T19:28:46Z 3063 N-phenyl-4-nitrobenzohydroxamic acid [O-][N+](=O)c2ccc(C(=O)N(O)c1ccccc1)cc2 methanol CO 0.300 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenyl-4-nitrobenzohydroxamic+acid&solvent=methanol O=C(N(O)c1ccccc1)c2ccccc2.CO 2012-05-16T19:28:46Z 3064 N-phenylbenzohydroxamic acid O=C(N(O)c1ccccc1)c2ccccc2 methanol CO 0.200 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenylbenzohydroxamic+acid&solvent=methanol Oc1ccc(cc1OC)C=Nc2ccccc2.CO 2012-05-16T19:28:46Z 3065 N-vanillylideneaniline Oc1ccc(cc1OC)C=Nc2ccccc2 methanol CO 0.130 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-vanillylideneaniline&solvent=methanol O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.CO 2012-05-16T19:28:46Z 3066 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C methanol CO 0.342 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=methanol Clc1ccc(NC(=O)N(CCCC)C)cc1Cl.CO 2012-05-16T19:28:46Z 3067 neburon Clc1ccc(NC(=O)N(CCCC)C)cc1Cl methanol CO 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=neburon&solvent=methanol O=C(O)c1cccnc1.OC 2012-05-16T19:28:46Z 3068 nicotinic acid O=C(O)c1cccnc1 methanol OC 0.062 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nicotinic+acid&solvent=methanol FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.CO 2012-05-16T19:28:46Z 3069 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O methanol CO 0.182 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=methanol [O-][N+](=O)c2cc(Oc1ccccc1)c(cc2)NS(=O)(=O)C.CO 2012-05-16T19:28:46Z 3070 nimesulide [O-][N+](=O)c2cc(Oc1ccccc1)c(cc2)NS(=O)(=O)C methanol CO 0.029 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nimesulide&solvent=methanol Nc1ccccc1Cl.OC 2012-05-16T19:28:46Z 3071 o-chloroaniline Nc1ccccc1Cl methanol OC 9.509 amine y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=o-chloroaniline&solvent=methanol Oc1c(cccc1OC)C=O.OC 2012-05-16T19:28:46Z 3072 o-vanillin Oc1c(cccc1OC)C=O methanol OC 2.270 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=o-vanillin&solvent=methanol CCCCCCCC(=O)O.OC 2012-05-16T19:28:46Z 3073 octanoic acid CCCCCCCC(=O)O methanol OC 6.310 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octanoic+acid&solvent=methanol NCCCCCCCC.OC 2012-05-16T19:28:46Z 3074 octylamine NCCCCCCCC methanol OC 6.050 amine y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octylamine&solvent=methanol COc1ccc(C=O)cc1.OC 2012-05-16T19:28:46Z 3075 p-anisaldehyde COc1ccc(C=O)cc1 methanol OC 8.220 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-anisaldehyde&solvent=methanol O=Cc1ccc(C)cc1.OC 2012-05-16T19:28:46Z 3076 p-tolualdehyde O=Cc1ccc(C)cc1 methanol OC 8.470 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-tolualdehyde&solvent=methanol CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)O)(C)C.CO 2012-05-16T19:28:46Z 3077 paclitaxel CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)O)(C)C methanol CO 0.012 multiple n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=paclitaxel&solvent=methanol CCCCCCCCCCCCCCCC(=O)O.CO 2012-05-16T19:28:46Z 3078 palmitic acid CCCCCCCCCCCCCCCC(=O)O methanol CO 0.270 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=palmitic+acid&solvent=methanol CCCCC(=O)O.OC 2012-05-16T19:28:46Z 3079 pentanoic acid CCCCC(=O)O methanol OC 9.190 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pentanoic+acid&solvent=methanol O=C1NC(=O)NC(=O)C1(C(C)CCC)CC.CO 2012-05-16T19:28:46Z 3080 pentobarbital O=C1NC(=O)NC(=O)C1(C(C)CCC)CC methanol CO 1.383 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pentobarbital&solvent=methanol O=C(Nc1ccc(OCC)cc1)C.CO 2012-05-16T19:28:46Z 3081 phenacetin O=C(Nc1ccc(OCC)cc1)C methanol CO 0.472 Non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=methanol c3cc2ccc1ccccc1c2cc3.CO 2012-05-16T19:28:46Z 3082 phenanthrene c3cc2ccc1ccccc1c2cc3 methanol CO 0.138 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=methanol O=Cc2cc3c(c1c2cccc1)cccc3.OC 2012-05-16T19:28:46Z 3083 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 methanol OC 0.104 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=methanol O=C(O)c2cccc1nc3c(nc12)cccc3.CO 2012-05-16T19:28:46Z 3084 phenazine-1-carboxylic acid O=C(O)c2cccc1nc3c(nc12)cccc3 methanol CO 0.005 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenazine-1-carboxylic+acid&solvent=methanol O=C1NC(=O)NC(=O)C1(c2ccccc2)CC.CO 2012-05-16T19:28:46Z 3085 phenobarbital O=C1NC(=O)NC(=O)C1(c2ccccc2)CC methanol CO 1.085 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenobarbital&solvent=methanol c1ccc2c(c1)Nc3ccccc3S2.CO 2012-05-16T19:28:46Z 3086 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 methanol CO 0.119 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=methanol O=C(Oc1ccccc1)c2ccccc2O.CO 2012-05-16T19:28:46Z 3087 phenyl salicylate O=C(Oc1ccccc1)c2ccccc2O methanol CO 1.729 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenyl+salicylate&solvent=methanol O=C(O)Cc1ccccc1.CO 2012-05-16T19:28:46Z 3088 phenylacetic acid O=C(O)Cc1ccccc1 methanol CO 5.685 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=methanol O=C(O)C(N)Cc1ccccc1.CO 2012-05-16T19:28:46Z 3089 phenylalanine O=C(O)C(N)Cc1ccccc1 methanol CO 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylalanine&solvent=methanol O=C(C#Cc1ccccc1)O.OC 2012-05-16T19:28:46Z 3090 phenylpropynoic acid O=C(C#Cc1ccccc1)O methanol OC 2.890 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylpropynoic+acid&solvent=methanol O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2.CO 2012-05-16T19:28:46Z 3091 phloretin O=C(c1c(O)cc(O)cc1O)CCc2ccc(O)cc2 methanol CO 0.558 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phloretin&solvent=methanol O=C(O)c1ccccc1C(=O)O.OC 2012-05-16T19:28:46Z 3092 phthalic acid O=C(O)c1ccccc1C(=O)O methanol OC 0.427 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phthalic+acid&solvent=methanol O=C(O)CCCCCC(=O)O.CO 2012-05-16T19:28:46Z 3093 pimelic acid O=C(O)CCCCCC(=O)O methanol CO 2.371 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimelic+acid&solvent=methanol Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5.CO 2012-05-16T19:28:46Z 3094 pimozide Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5 methanol CO 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimozide&solvent=methanol O=Cc1ccc2OCOc2c1.OC 2012-05-16T19:28:46Z 3095 piperonal O=Cc1ccc2OCOc2c1 methanol OC 7.285 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=piperonal&solvent=methanol OC=2c1ccccc1S(=O)(=O)N(C)C=2C(=O)Nc3ccccn3.CO 2012-05-16T19:28:46Z 3096 piroxicam OC=2c1ccccc1S(=O)(=O)N(C)C=2C(=O)Nc3ccccn3 methanol CO 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=piroxicam&solvent=methanol COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4.CO 2012-05-16T19:28:46Z 3097 podophyllotoxin COc1cc(cc(c1OC)OC)[C@@H]2c3cc4c(cc3[C@@H]([C@@H]5[C@@H]2C(=O)OC5)O)OCO4 methanol CO 0.058 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=podophyllotoxin&solvent=methanol O=C1NC(=O)NC(=O)C1(C(C)C)CC.CO 2012-05-16T19:28:46Z 3098 probarbital O=C1NC(=O)NC(=O)C1(C(C)C)CC methanol CO 0.651 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=probarbital&solvent=methanol CCC(=O)O.OC 2012-05-16T19:28:46Z 3099 propanoic acid CCC(=O)O methanol OC 13.410 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=propanoic+acid&solvent=methanol O=C(OCCC)c1ccc(O)cc1.CO 2012-05-16T19:28:46Z 3100 propylparaben O=C(OCCC)c1ccc(O)cc1 methanol CO 2.789 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=propylparaben&solvent=methanol c1cc2ccc3cccc4c3c2c(c1)cc4.CO 2012-05-16T19:28:46Z 3101 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 methanol CO 0.036 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=methanol O=C2/N=C\1/N(c3cc(c(cc3/N=C/1C(=O)N2)C)C)CC(O)C(O)C(O)CO.OC 2012-05-16T19:28:46Z 3102 riboflavin O=C2/N=C\1/N(c3cc(c(cc3/N=C/1C(=O)N2)C)C)CC(O)C(O)C(O)CO methanol OC 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=riboflavin&solvent=methanol Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H](/C=C/C=C(/C(=O)NC(=C2O)/C(=C\NN5CCN(CC5)C6CCCC6)/C3=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O.CO 2012-05-16T19:28:46Z 3103 rifapentine Cc1c(c2c3c4c1O[C@@](C4=O)(O/C=C/[C@@H]([C@@H]([C@H]([C@@H]([C@H]([C@@H]([C@@H]([C@@H](/C=C/C=C(/C(=O)NC(=C2O)/C(=C\NN5CCN(CC5)C6CCCC6)/C3=O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O methanol CO 0.492 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=rifapentine&solvent=methanol O=C2OCC(=C2\c1ccccc1)\c3ccc(cc3)S(=O)(=O)C.CO 2012-05-16T19:28:46Z 3104 rofecoxib O=C2OCC(=C2\c1ccccc1)\c3ccc(cc3)S(=O)(=O)C methanol CO 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=rofecoxib&solvent=methanol C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O.CO 2012-05-16T19:28:46Z 3105 rutin C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)O)O)O)O)O)O)O)O)O)O methanol CO 0.070 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=rutin&solvent=methanol c1cccc(C=O)c1O.OC 2012-05-16T19:28:46Z 3106 salicylaldehyde c1cccc(C=O)c1O methanol OC 10.040 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylaldehyde&solvent=methanol O=C(c1ccccc1O)N.CO 2012-05-16T19:28:46Z 3107 salicylamide O=C(c1ccccc1O)N methanol CO 0.942 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=methanol OC(=O)c1ccccc1O.OC 2012-05-16T19:28:46Z 3108 salicylic acid OC(=O)c1ccccc1O methanol OC 2.648 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=methanol O=C(O)\C=C\c1cc(OC)c(O)c(OC)c1.OC 2012-05-16T19:28:46Z 3109 sinapic acid O=C(O)\C=C\c1cc(OC)c(O)c(OC)c1 methanol OC 1.040 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sinapic+acid&solvent=methanol Cl[Na].OC 2012-05-16T19:28:46Z 3110 sodium chloride Cl[Na] methanol OC 0.215 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sodium+chloride&solvent=methanol O=C(O)CCCCCCCCCCCCCCCCC.CO 2012-05-16T19:28:46Z 3111 stearic acid O=C(O)CCCCCCCCCCCCCCCCC methanol CO 0.052 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=stearic+acid&solvent=methanol Cl[C@H]2[C@H](O[C@H](O[C@@]1(O[C@@H]([C@@H](O)[C@@H]1O)CCl)CCl)[C@H](O)[C@H]2O)CO.CO 2012-05-16T19:28:46Z 3112 sucralose Cl[C@H]2[C@H](O[C@H](O[C@@]1(O[C@@H]([C@@H](O)[C@@H]1O)CCl)CCl)[C@H](O)[C@H]2O)CO methanol CO 0.699 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sucralose&solvent=methanol O=S(=O)(Nc1ncccn1)c2ccc(N)cc2.CO 2012-05-16T19:28:46Z 3113 sulfadiazine O=S(=O)(Nc1ncccn1)c2ccc(N)cc2 methanol CO 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfadiazine&solvent=methanol O=S(=O)(Nc1nc(OC)nc(OC)c1)c2ccc(N)cc2.CO 2012-05-16T19:28:46Z 3114 sulfadimethoxine O=S(=O)(Nc1nc(OC)nc(OC)c1)c2ccc(N)cc2 methanol CO 0.028 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfadimethoxine&solvent=methanol O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2.CO 2012-05-16T19:28:46Z 3115 sulfamethoxazole O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2 methanol CO 0.356 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxazole&solvent=methanol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CO 2012-05-16T19:28:46Z 3116 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 methanol CO 0.070 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=methanol O=S(=O)(Nc1nc(nc(c1)C)C)c2ccc(N)cc2.CO 2012-05-16T19:28:46Z 3117 sulfisomidine O=S(=O)(Nc1nc(nc(c1)C)C)c2ccc(N)cc2 methanol CO 0.028 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfisomidine&solvent=methanol O=S(=O)(Nc1onc(c1C)C)c2ccc(N)cc2.CO 2012-05-16T19:28:46Z 3118 sulfisoxazole O=S(=O)(Nc1onc(c1C)C)c2ccc(N)cc2 methanol CO 0.184 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfisoxazole&solvent=methanol O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2.CO 2012-05-16T19:28:46Z 3119 sulpiride O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2 methanol CO 0.052 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulpiride&solvent=methanol Clc3cc\1c(N(C(=O)C(O)/N=C/1c2ccccc2)C)cc3.CO 2012-05-16T19:28:46Z 3120 temazepam Clc3cc\1c(N(C(=O)C(O)/N=C/1c2ccccc2)C)cc3 methanol CO 0.132 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=temazepam&solvent=methanol O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C.CO 2012-05-16T19:28:46Z 3121 tenoxicam O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C methanol CO 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tenoxicam&solvent=methanol c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.CO 2012-05-16T19:28:46Z 3122 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 methanol CO 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=methanol O=C3NC(=O)CCC3N1C(=O)c2ccccc2C1=O.CO 2012-05-16T19:28:46Z 3123 thalidomide O=C3NC(=O)CCC3N1C(=O)c2ccccc2C1=O methanol CO 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thalidomide&solvent=methanol S1c3c(Sc2c1cccc2)cccc3.CO 2012-05-16T19:28:46Z 3124 thianthrene S1c3c(Sc2c1cccc2)cccc3 methanol CO 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=methanol O=C1c3c(Sc2c1cccc2)cccc3.CO 2012-05-16T19:28:46Z 3125 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 methanol CO 0.006 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=methanol C(=S)(N)N.CO 2012-05-16T19:28:46Z 3126 thiourea C(=S)(N)N methanol CO 1.204 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiourea&solvent=methanol CCCC=CC=O.OC 2012-05-16T19:28:46Z 3127 trans-2-hexen-1-al CCCC=CC=O methanol OC 8.620 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-2-hexen-1-al&solvent=methanol c1ccc(cc1)/C=C/c2ccccc2.CO 2012-05-16T19:28:46Z 3128 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 methanol CO 0.046 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=methanol C(=O)(C(Cl)(Cl)Cl)O.OC 2012-05-16T19:28:46Z 3129 trichloroacetic acid C(=O)(C(Cl)(Cl)Cl)O methanol OC 9.910 carboxylic acid y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trichloroacetic+acid&solvent=methanol n1c(N)c(cnc1N)Cc2cc(OC)c(OC)c(OC)c2.CO 2012-05-16T19:28:46Z 3130 trimethoprim n1c(N)c(cnc1N)Cc2cc(OC)c(OC)c(OC)c2 methanol CO 0.042 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trimethoprim&solvent=methanol CC(C)(C)NC(=O)C(c1ccc2OCOc2c1)N(Cc3ccc(C)o3)C(=O)CNC(=O)OC(C)(C)C.OC 2012-05-16T19:28:46Z 3131 UCExp216-3A CC(C)(C)NC(=O)C(c1ccc2OCOc2c1)N(Cc3ccc(C)o3)C(=O)CNC(=O)OC(C)(C)C methanol OC 0.060 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=UCExp216-3A&solvent=methanol O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccc(OC)c(OC)c2)C(=O)NC(C)(C)C.OC 2012-05-16T19:28:46Z 3132 Ugi product 104C (UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccc(OC)c(OC)c2)C(=O)NC(C)(C)C methanol OC 0.290 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+104C+(UC)&solvent=methanol O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NCc3ccccc3.OC 2012-05-16T19:28:46Z 3133 Ugi product 108C (UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NCc3ccccc3 methanol OC 0.360 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+108C+(UC)&solvent=methanol O=C(CNC(=O)OC(C)(C)C)N(Cc1ccc(o1)C(F)(F)F)C(c2ccccc2)C(=O)NCc3ccccc3.OC 2012-05-16T19:28:46Z 3134 Ugi product 109C(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccc(o1)C(F)(F)F)C(c2ccccc2)C(=O)NCc3ccccc3 methanol OC 0.150 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+109C(UC)&solvent=methanol CC(C)(C)NC(=O)C(N(CCCCCCC)C(=O)\C=C\C)c2cc3ccccc3c1ccccc12.OC 2012-05-16T19:28:46Z 3135 Ugi product 148B CC(C)(C)NC(=O)C(N(CCCCCCC)C(=O)\C=C\C)c2cc3ccccc3c1ccccc12 methanol OC 0.030 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+148B&solvent=methanol CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23.OC 2012-05-16T19:28:46Z 3136 Ugi product 150D(UC) CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23 methanol OC 0.065 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+150D(UC)&solvent=methanol CN(C)c1ccc(cc1)C(C(=O)NC(C)(C)C)N(C)C(=O)CCCc5ccc4ccc3cccc2ccc5c4c23.OC 2012-05-16T19:28:46Z 3137 Ugi product 171K (UC) CN(C)c1ccc(cc1)C(C(=O)NC(C)(C)C)N(C)C(=O)CCCc5ccc4ccc3cccc2ccc5c4c23 methanol OC 0.020 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+171K+(UC)&solvent=methanol CC(C)(C)NC(=O)C(N(C)C(=O)CCCc4ccc3ccc2cccc1ccc4c3c12)c5ccc(C)cc5.OC 2012-05-16T19:28:46Z 3138 Ugi product 173B (UC) CC(C)(C)NC(=O)C(N(C)C(=O)CCCc4ccc3ccc2cccc1ccc4c3c12)c5ccc(C)cc5 methanol OC 0.080 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+173B+(UC)&solvent=methanol COc1cc(cc(OC)c1)C(C(=O)NCCCC)N(Cc2ccccc2)C(=O)C#Cc3ccccc3.OC 2012-05-16T19:28:46Z 3139 Ugi product 173G (UC) COc1cc(cc(OC)c1)C(C(=O)NCCCC)N(Cc2ccccc2)C(=O)C#Cc3ccccc3 methanol OC 0.180 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+173G+(UC)&solvent=methanol O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC.OC 2012-05-16T19:28:46Z 3140 Ugi product 176C (UC) O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC methanol OC 0.020 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+176C+(UC)&solvent=methanol O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C.OC 2012-05-16T19:28:46Z 3141 Ugi product 206B(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C methanol OC 0.046 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+206B(UC)&solvent=methanol CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23.OC 2012-05-16T19:28:46Z 3142 Ugi product 214C(UC) CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23 methanol OC 0.007 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+214C(UC)&solvent=methanol Clc5ccc(CC(=O)N(Cc1ccccc1)C(c3cc4ccccc4c2ccccc23)C(=O)NCCCC)cc5.OC 2012-05-16T19:28:46Z 3143 Ugi product 215F(UC) Clc5ccc(CC(=O)N(Cc1ccccc1)C(c3cc4ccccc4c2ccccc23)C(=O)NCCCC)cc5 methanol OC 0.120 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+215F(UC)&solvent=methanol Cc1ccc(o1)CC(C(c2ccc(c(c2)OC)OC)C(=O)NC(C)(C)C)C(=O)CNC(=O)OC(C)(C)C.OC 2012-05-16T19:28:46Z 3144 Ugi Product 216-4A Cc1ccc(o1)CC(C(c2ccc(c(c2)OC)OC)C(=O)NC(C)(C)C)C(=O)CNC(=O)OC(C)(C)C methanol OC 0.180 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+Product+216-4A&solvent=methanol CC(C)(C)NC(=O)C(c1ccc2OCOc2c1)N(Cc3ccc(C)o3)C(=O)CNC(=O)OC(C)(C)C.OC 2012-05-16T19:28:46Z 3145 Ugi product 62E (UC) CC(C)(C)NC(=O)C(c1ccc2OCOc2c1)N(Cc3ccc(C)o3)C(=O)CNC(=O)OC(C)(C)C methanol OC 0.130 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+62E+(UC)&solvent=methanol CC(C)(C)OC(=O)NCC(=O)N(Cc1ccc(C)o1)C(C(=O)NCc2ccccc2)c3ccc(OC)c(OC)c3.OC 2012-05-16T19:28:46Z 3146 Ugi product 64C (UC) CC(C)(C)OC(=O)NCC(=O)N(Cc1ccc(C)o1)C(C(=O)NCc2ccccc2)c3ccc(OC)c(OC)c3 methanol OC 0.030 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+64C+(UC)&solvent=methanol O=C(CNC(=O)OC(C)(C)C)N(Cc1ccc(C)o1)C(c2ccccc2)C(=O)NC(C)(C)C.OC 2012-05-16T19:28:46Z 3147 Ugi product 86B (UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccc(C)o1)C(c2ccccc2)C(=O)NC(C)(C)C methanol OC 0.170 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+86B+(UC)&solvent=methanol O=C(O)CCCCCCCCCC.OC 2012-05-16T19:28:46Z 3148 undecanoic acid O=C(O)CCCCCCCCCC methanol OC 4.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=undecanoic+acid&solvent=methanol NC(=O)N.OC 2012-05-16T19:28:46Z 3149 urea NC(=O)N methanol OC 2.656 amide n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=urea&solvent=methanol Oc1ccc(cc1OC)C=O.OC 2012-05-16T19:28:46Z 3150 vanillin Oc1ccc(cc1OC)C=O methanol OC 4.160 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=vanillin&solvent=methanol COc1cc(ccc1OC)C=O.OC 2012-05-16T19:28:46Z 3151 veratraldehyde COc1cc(ccc1OC)C=O methanol OC 5.870 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=veratraldehyde&solvent=methanol O2c1ccccc1Cc3c2cccc3.OC 2012-05-16T19:28:46Z 3152 xanthene O2c1ccccc1Cc3c2cccc3 methanol OC 0.100 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=methanol n1cnnc1.O=C(OC)C 2012-05-16T19:28:46Z 3153 1,2,4-triazole n1cnnc1 methyl acetate O=C(OC)C 1.642 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,4-triazole&solvent=methyl+acetate O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.O=C(OC)C 2012-05-16T19:28:46Z 3154 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O methyl acetate O=C(OC)C 0.890 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=methyl+acetate O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.O=C(OC)C 2012-05-16T19:28:46Z 3155 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC methyl acetate O=C(OC)C 0.516 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=methyl+acetate O=C(O)c1ccccc1OC.O=C(OC)C 2012-05-16T19:28:46Z 3156 2-methoxybenzoic acid O=C(O)c1ccccc1OC methyl acetate O=C(OC)C 0.860 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=methyl+acetate O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.O=C(OC)C 2012-05-16T19:28:46Z 3157 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O methyl acetate O=C(OC)C 0.443 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=methyl+acetate O=C(O)c1ccccc1C.O=C(OC)C 2012-05-16T19:28:46Z 3158 2-methylbenzoic acid O=C(O)c1ccccc1C methyl acetate O=C(OC)C 1.510 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=methyl+acetate O=C(O)c1cc(ccc1)C.O=C(OC)C 2012-05-16T19:28:46Z 3159 3-methylbenzoic acid O=C(O)c1cc(ccc1)C methyl acetate O=C(OC)C 1.576 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=methyl+acetate O=[N+]([O-])c1cc(C(=O)O)ccc1.O=C(OC)C 2012-05-16T19:28:46Z 3160 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 methyl acetate O=C(OC)C 1.704 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=methyl+acetate O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)O.O=C(OC)C 2012-05-16T19:28:46Z 3161 3-nitrophthalic acid O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)O methyl acetate O=C(OC)C 0.455 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalic+acid&solvent=methyl+acetate O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.O=C(OC)C 2012-05-16T19:28:46Z 3162 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O methyl acetate O=C(OC)C 0.440 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=methyl+acetate O=C(O)c1ccc(Cl)cc1.O=C(OC)C 2012-05-16T19:28:46Z 3163 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 methyl acetate O=C(OC)C 0.110 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=methyl+acetate O=[N+]([O-])c1ccc(C(=O)O)cc1.O=C(OC)C 2012-05-16T19:28:46Z 3164 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 methyl acetate O=C(OC)C 0.140 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=methyl+acetate c1cc2cccc3c2c(c1)CC3.O=C(OC)C 2012-05-16T19:28:46Z 3165 acenaphthene c1cc2cccc3c2c(c1)CC3 methyl acetate O=C(OC)C 0.832 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=methyl+acetate O=C(Oc1ccccc1C(=O)O)C.O=C(OC)C 2012-05-16T19:28:46Z 3166 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C methyl acetate O=C(OC)C 0.625 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=methyl+acetate c1ccc2cc3ccccc3cc2c1.O=C(OC)C 2012-05-16T19:28:46Z 3167 anthracene c1ccc2cc3ccccc3cc2c1 methyl acetate O=C(OC)C 0.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=methyl+acetate c1ccc(cc1)C(=O)C(=O)c2ccccc2.O=C(OC)C 2012-05-16T19:28:46Z 3168 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 methyl acetate O=C(OC)C 1.574 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=methyl+acetate c1ccc(cc1)C(C(=O)c2ccccc2)O.O=C(OC)C 2012-05-16T19:28:46Z 3169 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O methyl acetate O=C(OC)C 0.174 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=methyl+acetate O=C(O)[C@H]1N(C(=O)[C@H](C)CS)CCC1.O=C(OC)C 2012-05-16T19:28:46Z 3170 captopril O=C(O)[C@H]1N(C(=O)[C@H](C)CS)CCC1 methyl acetate O=C(OC)C 0.394 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=captopril&solvent=methyl+acetate O=C2c1ccccc1C(=O)c3c2cccc3Cl.O=C(OC)C 2012-05-16T19:28:46Z 3171 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl methyl acetate O=C(OC)C 0.083 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=methyl+acetate O=S(=O)(c1ccccc1)c2ccccc2.O=C(OC)C 2012-05-16T19:28:46Z 3172 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 methyl acetate O=C(OC)C 0.577 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=methyl+acetate Clc1ccc(NC(=O)N(C)C)cc1Cl.O=C(OC)C 2012-05-16T19:28:46Z 3173 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl methyl acetate O=C(OC)C 0.088 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=methyl+acetate c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.O=C(OC)C 2012-05-16T19:28:46Z 3174 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl methyl acetate O=C(OC)C 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=methyl+acetate O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC.O=C(OC)C 2012-05-16T19:28:46Z 3175 lovastatin O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC methyl acetate O=C(OC)C 0.056 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lovastatin&solvent=methyl+acetate Clc1ccc(NC(=O)N(C)C)cc1.O=C(OC)C 2012-05-16T19:28:46Z 3176 monuron Clc1ccc(NC(=O)N(C)C)cc1 methyl acetate O=C(OC)C 0.107 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=methyl+acetate O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.O=C(OC)C 2012-05-16T19:28:46Z 3177 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C methyl acetate O=C(OC)C 0.325 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=methyl+acetate c1ccc2c(c1)ccc3c2cccc3.O=C(OC)C 2012-05-16T19:28:46Z 3178 phenanthrene c1ccc2c(c1)ccc3c2cccc3 methyl acetate O=C(OC)C 1.457 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=methyl+acetate c1cc2ccc3cccc4c3c2c(c1)cc4.O=C(OC)C 2012-05-16T19:28:46Z 3179 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 methyl acetate O=C(OC)C 0.392 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=methyl+acetate O=C(c1ccccc1O)N.O=C(OC)C 2012-05-16T19:28:46Z 3180 salicylamide O=C(c1ccccc1O)N methyl acetate O=C(OC)C 1.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=methyl+acetate c1ccc(c(c1)C(=O)O)O.O=C(OC)C 2012-05-16T19:28:46Z 3181 salicylic acid c1ccc(c(c1)C(=O)O)O methyl acetate O=C(OC)C 1.402 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=methyl+acetate O=C1c3c(Sc2c1cccc2)cccc3.O=C(OC)C 2012-05-16T19:28:46Z 3182 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 methyl acetate O=C(OC)C 0.035 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=methyl+acetate c1ccc(cc1)/C=C/c2ccccc2.O=C(OC)C 2012-05-16T19:28:46Z 3183 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 methyl acetate O=C(OC)C 0.419 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=methyl+acetate O=C(O)[C@@H](N(C(=O)CCCC)Cc3ccc(c1ccccc1c2nnnn2)cc3)C(C)C.O=C(OC)C 2012-05-16T19:28:46Z 3184 valsartan O=C(O)[C@@H](N(C(=O)CCCC)Cc3ccc(c1ccccc1c2nnnn2)cc3)C(C)C methyl acetate O=C(OC)C 0.140 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=valsartan&solvent=methyl+acetate c1ccc2cc3ccccc3cc2c1.CC(=O)CC(=O)OC 2012-05-16T19:28:46Z 3185 anthracene c1ccc2cc3ccccc3cc2c1 methyl acetoacetate CC(=O)CC(=O)OC 0.029 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=methyl+acetoacetate c1cc2ccc3cccc4c3c2c(c1)cc4.CC(=O)CC(=O)OC 2012-05-16T19:28:46Z 3186 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 methyl acetoacetate CC(=O)CC(=O)OC 0.031 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=methyl+acetoacetate O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.O=C(OC)CCC 2012-05-16T19:28:46Z 3187 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O methyl butyrate O=C(OC)CCC 0.210 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=methyl+butyrate O=C(Oc1ccccc1C(=O)O)C.O=C(OC)CCC 2012-05-16T19:28:46Z 3188 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C methyl butyrate O=C(OC)CCC 0.257 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=methyl+butyrate c1ccc2cc3ccccc3cc2c1.O=C(OC)CCC 2012-05-16T19:28:46Z 3189 anthracene c1ccc2cc3ccccc3cc2c1 methyl butyrate O=C(OC)CCC 0.051 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=methyl+butyrate O=C1c3c(Sc2c1cccc2)cccc3.O=C(OC)CCC 2012-05-16T19:28:46Z 3190 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 methyl butyrate O=C(OC)CCC 0.035 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=methyl+butyrate [O-][N+](=O)c2cccc1ccccc12.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3191 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 methyl tert-butyl ether O(C(C)(C)C)C 1.763 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=methyl+tert-butyl+ether Brc1ccc(Br)cc1.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3192 1,4-dibromobenzene Brc1ccc(Br)cc1 methyl tert-butyl ether O(C(C)(C)C)C 1.485 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=methyl+tert-butyl+ether c1c[n+](ccc1[N+](=O)[O-])[O-].O(C(C)(C)C)C 2012-05-16T19:28:46Z 3193 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] methyl tert-butyl ether O(C(C)(C)C)C 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=methyl+tert-butyl+ether O=C3c1ccccc1c2c3cccc2.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3194 9-fluorenone O=C3c1ccccc1c2c3cccc2 methyl tert-butyl ether O(C(C)(C)C)C 0.760 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=methyl+tert-butyl+ether c1cc2cccc3c2c(c1)CC3.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3195 acenaphthene c1cc2cccc3c2c(c1)CC3 methyl tert-butyl ether O(C(C)(C)C)C 0.756 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=methyl+tert-butyl+ether O=C(Oc1ccccc1C(=O)O)C.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3196 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C methyl tert-butyl ether O(C(C)(C)C)C 0.339 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=methyl+tert-butyl+ether O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3197 artemisinin O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C methyl tert-butyl ether O(C(C)(C)C)C 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=artemisinin&solvent=methyl+tert-butyl+ether c1ccc(cc1)C(=O)C(=O)c2ccccc2.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3198 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 methyl tert-butyl ether O(C(C)(C)C)C 0.534 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=methyl+tert-butyl+ether c1ccc(cc1)C(C(=O)c2ccccc2)O.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3199 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O methyl tert-butyl ether O(C(C)(C)C)C 0.031 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=methyl+tert-butyl+ether O=C1NCCCCC1.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3200 caprolactam O=C1NCCCCC1 methyl tert-butyl ether O(C(C)(C)C)C 1.068 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caprolactam&solvent=methyl+tert-butyl+ether O=C2c1ccccc1C(=O)c3c2cccc3Cl.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3201 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl methyl tert-butyl ether O(C(C)(C)C)C 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=methyl+tert-butyl+ether O=S(=O)(c1ccccc1)c2ccccc2.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3202 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 methyl tert-butyl ether O(C(C)(C)C)C 0.079 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=methyl+tert-butyl+ether c1ccc-2c(c1)-c3cccc4c3c2ccc4.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3203 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 methyl tert-butyl ether O(C(C)(C)C)C 0.393 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=methyl+tert-butyl+ether c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3204 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl methyl tert-butyl ether O(C(C)(C)C)C 0.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=methyl+tert-butyl+ether c1ccc2c(c1)Nc3ccccc3S2.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3205 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 methyl tert-butyl ether O(C(C)(C)C)C 0.197 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=methyl+tert-butyl+ether c1cc2ccc3cccc4c3c2c(c1)cc4.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3206 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 methyl tert-butyl ether O(C(C)(C)C)C 0.201 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=methyl+tert-butyl+ether S1c3c(Sc2c1cccc2)cccc3.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3207 thianthrene S1c3c(Sc2c1cccc2)cccc3 methyl tert-butyl ether O(C(C)(C)C)C 0.080 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=methyl+tert-butyl+ether O=C1c3c(Sc2c1cccc2)cccc3.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3208 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 methyl tert-butyl ether O(C(C)(C)C)C 0.014 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=methyl+tert-butyl+ether c1ccc(cc1)/C=C/c2ccccc2.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3209 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 methyl tert-butyl ether O(C(C)(C)C)C 0.243 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=methyl+tert-butyl+ether O2c1ccccc1Cc3c2cccc3.O(C(C)(C)C)C 2012-05-16T19:28:46Z 3210 xanthene O2c1ccccc1Cc3c2cccc3 methyl tert-butyl ether O(C(C)(C)C)C 0.650 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=methyl+tert-butyl+ether [O-][N+](=O)c2cccc1ccccc12.CC1CCCCC1 2012-05-16T19:28:46Z 3211 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 methylcyclohexane CC1CCCCC1 0.219 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=methylcyclohexane O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.CC1CCCCC1 2012-05-16T19:28:46Z 3212 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC methylcyclohexane CC1CCCCC1 0.036 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=methylcyclohexane c1c[n+](ccc1[N+](=O)[O-])[O-].CC1CCCCC1 2012-05-16T19:28:46Z 3213 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] methylcyclohexane CC1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=methylcyclohexane O=C3c1ccccc1c2c3cccc2.CC1CCCCC1 2012-05-16T19:28:46Z 3214 9-fluorenone O=C3c1ccccc1c2c3cccc2 methylcyclohexane CC1CCCCC1 0.140 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=methylcyclohexane c1cc2cccc3c2c(c1)CC3.CC1CCCCC1 2012-05-16T19:28:46Z 3215 acenaphthene c1cc2cccc3c2c(c1)CC3 methylcyclohexane CC1CCCCC1 0.637 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=methylcyclohexane c1ccc(cc1)C(=O)C(=O)c2ccccc2.CC1CCCCC1 2012-05-16T19:28:46Z 3216 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 methylcyclohexane CC1CCCCC1 0.089 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=methylcyclohexane c1ccc(cc1)c2ccccc2.CC1CCCCC1 2012-05-16T19:28:46Z 3217 biphenyl c1ccc(cc1)c2ccccc2 methylcyclohexane CC1CCCCC1 1.392 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=methylcyclohexane c1ccc2c(c1)c3ccccc3[nH]2.CC1CCCCC1 2012-05-16T19:28:46Z 3218 carbazole c1ccc2c(c1)c3ccccc3[nH]2 methylcyclohexane CC1CCCCC1 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbazole&solvent=methylcyclohexane O=C2c1ccccc1C(=O)c3c2cccc3Cl.CC1CCCCC1 2012-05-16T19:28:46Z 3219 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl methylcyclohexane CC1CCCCC1 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=methylcyclohexane Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.CC1CCCCC1 2012-05-16T19:28:46Z 3220 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F methylcyclohexane CC1CCCCC1 0.939 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=methylcyclohexane O=S(=O)(c1ccccc1)c2ccccc2.CC1CCCCC1 2012-05-16T19:28:46Z 3221 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 methylcyclohexane CC1CCCCC1 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=methylcyclohexane Clc1ccc(NC(=O)N(C)C)cc1Cl.CC1CCCCC1 2012-05-16T19:28:46Z 3222 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl methylcyclohexane CC1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=methylcyclohexane c1ccc-2c(c1)-c3cccc4c3c2ccc4.CC1CCCCC1 2012-05-16T19:28:46Z 3223 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 methylcyclohexane CC1CCCCC1 0.172 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=methylcyclohexane c1ccc-2c(c1)Cc3c2cccc3.CC1CCCCC1 2012-05-16T19:28:46Z 3224 fluorene c1ccc-2c(c1)Cc3c2cccc3 methylcyclohexane CC1CCCCC1 0.313 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=methylcyclohexane c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.CC1CCCCC1 2012-05-16T19:28:46Z 3225 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl methylcyclohexane CC1CCCCC1 0.031 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=methylcyclohexane ClC(Cl)(Cl)C(Cl)(Cl)Cl.CC1CCCCC1 2012-05-16T19:28:46Z 3226 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl methylcyclohexane CC1CCCCC1 1.366 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=methylcyclohexane c1ccc2ccccc2c1.CC1CCCCC1 2012-05-16T19:28:46Z 3227 naphthalene c1ccc2ccccc2c1 methylcyclohexane CC1CCCCC1 1.168 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=methylcyclohexane Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.CC1CCCCC1 2012-05-16T19:28:46Z 3228 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F methylcyclohexane CC1CCCCC1 0.560 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=methylcyclohexane c1ccc2c(c1)ccc3c2cccc3.CC1CCCCC1 2012-05-16T19:28:46Z 3229 phenanthrene c1ccc2c(c1)ccc3c2cccc3 methylcyclohexane CC1CCCCC1 0.358 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=methylcyclohexane c1ccc2c(c1)Nc3ccccc3S2.CC1CCCCC1 2012-05-16T19:28:46Z 3230 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 methylcyclohexane CC1CCCCC1 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=methylcyclohexane S1c3c(Sc2c1cccc2)cccc3.CC1CCCCC1 2012-05-16T19:28:46Z 3231 thianthrene S1c3c(Sc2c1cccc2)cccc3 methylcyclohexane CC1CCCCC1 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=methylcyclohexane O=C1c3c(Sc2c1cccc2)cccc3.CC1CCCCC1 2012-05-16T19:28:46Z 3232 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 methylcyclohexane CC1CCCCC1 0.004 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=methylcyclohexane c1ccc(cc1)/C=C/c2ccccc2.CC1CCCCC1 2012-05-16T19:28:46Z 3233 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 methylcyclohexane CC1CCCCC1 0.111 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=methylcyclohexane O2c1ccccc1Cc3c2cccc3.CC1CCCCC1 2012-05-16T19:28:46Z 3234 xanthene O2c1ccccc1Cc3c2cccc3 methylcyclohexane CC1CCCCC1 0.330 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=methylcyclohexane O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC.CN1CCCC1=O 2012-05-16T19:28:46Z 3235 2-(4-ethylbenzoyl)benzoic acid O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC N-methyl-2-pyrrolidone CN1CCCC1=O 1.891 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(4-ethylbenzoyl)benzoic+acid&solvent=N-methyl-2-pyrrolidone Cc1ccc(cc1)C(=O)O.O=C1N(C)CCCC1 2012-05-16T19:28:46Z 3236 4-methylbenzoic acid Cc1ccc(cc1)C(=O)O N-methyl-2-pyrrolidone O=C1N(C)CCCC1 0.742 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methylbenzoic+acid&solvent=N-methyl-2-pyrrolidone CC(=O)Nc1ccc(cc1)O.CN1CCCC1=O 2012-05-16T19:28:46Z 3237 acetaminophen CC(=O)Nc1ccc(cc1)O N-methyl-2-pyrrolidone CN1CCCC1=O 5.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=N-methyl-2-pyrrolidone c1ccc2cc3ccccc3cc2c1.CN1CCCC1=O 2012-05-16T19:28:46Z 3238 anthracene c1ccc2cc3ccccc3cc2c1 N-methyl-2-pyrrolidone CN1CCCC1=O 0.185 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=N-methyl-2-pyrrolidone [O-][N+](=O)c3cc\1c(NC(=O)C/N=C/1c2ccccc2Cl)cc3.O=C1N(C)CCCC1 2012-05-16T19:28:46Z 3239 clonazepam [O-][N+](=O)c3cc\1c(NC(=O)C/N=C/1c2ccccc2Cl)cc3 N-methyl-2-pyrrolidone O=C1N(C)CCCC1 0.667 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=clonazepam&solvent=N-methyl-2-pyrrolidone CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl.O=C1N(C)CCCC1 2012-05-16T19:28:46Z 3240 diazepam CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl N-methyl-2-pyrrolidone O=C1N(C)CCCC1 1.317 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diazepam&solvent=N-methyl-2-pyrrolidone CC(C)Cc1ccc(cc1)C(C)C(=O)O.CN1CCCC1=O 2012-05-16T19:28:46Z 3241 ibuprofen CC(C)Cc1ccc(cc1)C(C)C(=O)O N-methyl-2-pyrrolidone CN1CCCC1=O 5.512 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=N-methyl-2-pyrrolidone Clc2c(Cl)c(c1nnc(nc1N)N)ccc2.O=C1N(C)CCCC1 2012-05-16T19:28:46Z 3242 lamotrigine Clc2c(Cl)c(c1nnc(nc1N)N)ccc2 N-methyl-2-pyrrolidone O=C1N(C)CCCC1 0.059 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lamotrigine&solvent=N-methyl-2-pyrrolidone c1ccc2ccccc2c1.CN1CCCC1=O 2012-05-16T19:28:46Z 3243 naphthalene c1ccc2ccccc2c1 N-methyl-2-pyrrolidone CN1CCCC1=O 3.553 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=N-methyl-2-pyrrolidone O=C1NC(=O)NC(=O)C1(c2ccccc2)CC.O=C1N(C)CCCC1 2012-05-16T19:28:46Z 3244 phenobarbital O=C1NC(=O)NC(=O)C1(c2ccccc2)CC N-methyl-2-pyrrolidone O=C1N(C)CCCC1 2.308 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenobarbital&solvent=N-methyl-2-pyrrolidone c1ccc(c(c1)C(=O)O)O.CN1CCCC1=O 2012-05-16T19:28:46Z 3245 salicylic acid c1ccc(c(c1)C(=O)O)O N-methyl-2-pyrrolidone CN1CCCC1=O 3.934 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=N-methyl-2-pyrrolidone O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2.CN1CCCC1=O 2012-05-16T19:28:46Z 3246 sulpiride O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2 N-methyl-2-pyrrolidone CN1CCCC1=O 0.897 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulpiride&solvent=N-methyl-2-pyrrolidone c1cc(ccc1C(=O)O)O.O=CNC 2012-05-16T19:28:46Z 3247 4-hydroxybenzoic acid c1cc(ccc1C(=O)O)O N-methylformamide O=CNC 1.444 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=N-methylformamide c1cc2cccc3c2c(c1)CC3.O=CNC 2012-05-16T19:28:46Z 3248 acenaphthene c1cc2cccc3c2c(c1)CC3 N-methylformamide O=CNC 0.212 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=N-methylformamide c1ccc2cc3ccccc3cc2c1.O=CNC 2012-05-16T19:28:46Z 3249 anthracene c1ccc2cc3ccccc3cc2c1 N-methylformamide O=CNC 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=N-methylformamide COC(=O)c1ccc(cc1)O.O=CNC 2012-05-16T19:28:46Z 3250 methylparaben COC(=O)c1ccc(cc1)O N-methylformamide O=CNC 3.510 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=N-methylformamide c1cc2ccc3cccc4c3c2c(c1)cc4.O=CNC 2012-05-16T19:28:46Z 3251 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 N-methylformamide O=CNC 0.095 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=N-methylformamide O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.O=CNC 2012-05-16T19:28:46Z 3252 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 N-methylformamide O=CNC 1.112 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=N-methylformamide c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.O=CNC 2012-05-16T19:28:46Z 3253 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 N-methylformamide O=CNC 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=N-methylformamide ClCc1ccc([N+]([O-])=O)cc1.CCCO 2012-05-16T19:28:46Z 3254 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 n-propanol CCCO 1.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=n-propanol O=C(O)c1ccccc1.[O-][N+](=O)c1ccccc1 2012-05-16T19:28:46Z 3255 benzoic acid O=C(O)c1ccccc1 nitrobenzene [O-][N+](=O)c1ccccc1 1.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=nitrobenzene O=C(O)C=Cc1ccccc1.[O-][N+](=O)c1ccccc1 2012-05-16T19:28:46Z 3256 cinnamic acid O=C(O)C=Cc1ccccc1 nitrobenzene [O-][N+](=O)c1ccccc1 0.480 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=nitrobenzene O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.c1ccc(cc1)[N+](=O)[O-] 2012-05-16T19:28:46Z 3257 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 nitrobenzene c1ccc(cc1)[N+](=O)[O-] 0.194 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=nitrobenzene O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2.C[N+](=O)[O-] 2012-05-16T19:28:46Z 3258 2-amino-5-nitrobenzophenone O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2 nitromethane C[N+](=O)[O-] 0.316 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-amino-5-nitrobenzophenone&solvent=nitromethane [O-][N+](=O)c1cccc2c1C(=O)NC2=O.C[N+](=O)[O-] 2012-05-16T19:28:46Z 3259 3-nitrophthalimide [O-][N+](=O)c1cccc2c1C(=O)NC2=O nitromethane C[N+](=O)[O-] 0.084 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalimide&solvent=nitromethane ClCc1ccc([N+]([O-])=O)cc1.C[N+](=O)[O-] 2012-05-16T19:28:46Z 3260 4-nitrobenzyl chloride ClCc1ccc([N+]([O-])=O)cc1 nitromethane C[N+](=O)[O-] 3.332 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzyl+chloride&solvent=nitromethane Fc1cc2c(cc1)NC(=O)C2=O.C[N+](=O)[O-] 2012-05-16T19:28:46Z 3261 5-fluoroisatin Fc1cc2c(cc1)NC(=O)C2=O nitromethane C[N+](=O)[O-] 0.086 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluoroisatin&solvent=nitromethane c1ccc2c(c1)[nH]cn2.C[N+](=O)[O-] 2012-05-16T19:28:46Z 3262 benzimidazole c1ccc2c(c1)[nH]cn2 nitromethane C[N+](=O)[O-] 0.127 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=nitromethane O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.C[N+](=O)[O-] 2012-05-16T19:28:46Z 3263 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 nitromethane C[N+](=O)[O-] 0.047 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=nitromethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.[O-][N+](=O)C 2012-05-16T19:28:46Z 3264 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 nitromethane [O-][N+](=O)C 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=nitromethane [O-][N+](=O)c2cccc1ccccc12.CCCCCCCCC 2012-05-16T19:28:46Z 3265 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 nonane CCCCCCCCC 0.143 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=nonane c1c[n+](ccc1[N+](=O)[O-])[O-].CCCCCCCCC 2012-05-16T19:28:46Z 3266 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] nonane CCCCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=nonane O=C3c1ccccc1c2c3cccc2.CCCCCCCCC 2012-05-16T19:28:46Z 3267 9-fluorenone O=C3c1ccccc1c2c3cccc2 nonane CCCCCCCCC 0.120 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=nonane c1cc2cccc3c2c(c1)CC3.CCCCCCCCC 2012-05-16T19:28:46Z 3268 acenaphthene c1cc2cccc3c2c(c1)CC3 nonane CCCCCCCCC 0.408 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=nonane c1ccc2cc3ccccc3cc2c1.CCCCCCCCC 2012-05-16T19:28:46Z 3269 anthracene c1ccc2cc3ccccc3cc2c1 nonane CCCCCCCCC 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=nonane c1ccc(cc1)C(=O)C(=O)c2ccccc2.CCCCCCCCC 2012-05-16T19:28:46Z 3270 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 nonane CCCCCCCCC 0.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=nonane O=C(O)c1ccccc1.CCCCCCCCC 2012-05-16T19:28:46Z 3271 benzoic acid O=C(O)c1ccccc1 nonane CCCCCCCCC 0.080 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=nonane O=C(c1ccccc1)c2ccccc2.CCCCCCCCC 2012-05-16T19:28:46Z 3272 benzophenone O=C(c1ccccc1)c2ccccc2 nonane CCCCCCCCC 0.341 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzophenone&solvent=nonane c1ccc(cc1)c2ccccc2.CCCCCCCCC 2012-05-16T19:28:46Z 3273 biphenyl c1ccc(cc1)c2ccccc2 nonane CCCCCCCCC 0.894 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=nonane O=S(=O)(c1ccccc1)c2ccccc2.CCCCCCCCC 2012-05-16T19:28:46Z 3274 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 nonane CCCCCCCCC 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=nonane Clc1ccc(NC(=O)N(C)C)cc1Cl.CCCCCCCCC 2012-05-16T19:28:46Z 3275 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl nonane CCCCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=nonane c1ccc-2c(c1)-c3cccc4c3c2ccc4.CCCCCCCCC 2012-05-16T19:28:46Z 3276 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 nonane CCCCCCCCC 0.147 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=nonane c1ccc-2c(c1)Cc3c2cccc3.CCCCCCCCC 2012-05-16T19:28:46Z 3277 fluorene c1ccc-2c(c1)Cc3c2cccc3 nonane CCCCCCCCC 0.243 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=nonane c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.CCCCCCCCC 2012-05-16T19:28:46Z 3278 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl nonane CCCCCCCCC 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=nonane COC(=O)c1ccc(cc1)O.CCCCCCCCC 2012-05-16T19:28:46Z 3279 methylparaben COC(=O)c1ccc(cc1)O nonane CCCCCCCCC 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=nonane Clc1ccc(NC(=O)N(C)C)cc1.CCCCCCCCC 2012-05-16T19:28:46Z 3280 monuron Clc1ccc(NC(=O)N(C)C)cc1 nonane CCCCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=nonane c1ccc2c(c1)ccc3c2cccc3.CCCCCCCCC 2012-05-16T19:28:46Z 3281 phenanthrene c1ccc2c(c1)ccc3c2cccc3 nonane CCCCCCCCC 0.268 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=nonane c1cc2ccc3cccc4c3c2c(c1)cc4.CCCCCCCCC 2012-05-16T19:28:46Z 3282 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 nonane CCCCCCCCC 0.093 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=nonane S1c3c(Sc2c1cccc2)cccc3.CCCCCCCCC 2012-05-16T19:28:46Z 3283 thianthrene S1c3c(Sc2c1cccc2)cccc3 nonane CCCCCCCCC 0.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=nonane O=C1c3c(Sc2c1cccc2)cccc3.CCCCCCCCC 2012-05-16T19:28:46Z 3284 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 nonane CCCCCCCCC 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=nonane c1ccc(cc1)/C=C/c2ccccc2.CCCCCCCCC 2012-05-16T19:28:46Z 3285 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 nonane CCCCCCCCC 0.078 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=nonane O2c1ccccc1Cc3c2cccc3.CCCCCCCCC 2012-05-16T19:28:46Z 3286 xanthene O2c1ccccc1Cc3c2cccc3 nonane CCCCCCCCC 0.240 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=nonane c1ccc2cc(ccc2c1)O.Cc1ccccc1C 2012-05-16T19:28:46Z 3287 2-naphthol c1ccc2cc(ccc2c1)O o-xylene Cc1ccccc1C 0.204 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=o-xylene c1cc(nc(c1)N)N.Cc1ccccc1C 2012-05-16T19:28:46Z 3288 2,6-diaminopyridine c1cc(nc(c1)N)N o-xylene Cc1ccccc1C 0.029 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,6-diaminopyridine&solvent=o-xylene c1ccc2cc3ccccc3cc2c1.Cc1ccccc1C 2012-05-16T19:28:46Z 3289 anthracene c1ccc2cc3ccccc3cc2c1 o-xylene Cc1ccccc1C 0.069 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=o-xylene c1ccc(cc1)C(C(=O)c2ccccc2)O.Cc1ccccc1C 2012-05-16T19:28:46Z 3290 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O o-xylene Cc1ccccc1C 0.048 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=o-xylene c1cccc2oc(nc12)CSCc3nc4ccccc4o3.Cc1ccccc1C 2012-05-16T19:28:46Z 3291 bis(benzoxazolyl-2-methyl)sulfide c1cccc2oc(nc12)CSCc3nc4ccccc4o3 o-xylene Cc1ccccc1C 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=bis(benzoxazolyl-2-methyl)sulfide&solvent=o-xylene O=P(c1ccccc1)(c2ccccc2)C.Cc1ccccc1C 2012-05-16T19:28:46Z 3292 methyl diphenylphosphine oxide O=P(c1ccccc1)(c2ccccc2)C o-xylene Cc1ccccc1C 0.276 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+diphenylphosphine+oxide&solvent=o-xylene c1cc2ccc3cccc4c3c2c(c1)cc4.Cc1ccccc1C 2012-05-16T19:28:46Z 3293 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 o-xylene Cc1ccccc1C 0.609 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=o-xylene O=C(O)CCCCCCCCCCCCCCCCC.Cc1ccccc1C 2012-05-16T19:28:46Z 3294 stearic acid O=C(O)CCCCCCCCCCCCCCCCC o-xylene Cc1ccccc1C 0.051 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=stearic+acid&solvent=o-xylene O=C1c3c(Sc2c1cccc2)cccc3.Cc1ccccc1C 2012-05-16T19:28:46Z 3295 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 o-xylene Cc1ccccc1C 0.052 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=o-xylene [O-][N+](=O)c2cccc1ccccc12.CCCCCCCC 2012-05-16T19:28:46Z 3296 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 octane CCCCCCCC 0.140 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=octane O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC.CCCCCCCC 2012-05-16T19:28:46Z 3297 2-ethylanthraquinone O=C2c1c(cccc1)C(=O)c3c2ccc(c3)CC octane CCCCCCCC 0.029 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-ethylanthraquinone&solvent=octane c1ccc2cc(ccc2c1)O.CCCCCCCC 2012-05-16T19:28:46Z 3298 2-naphthol c1ccc2cc(ccc2c1)O octane CCCCCCCC 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=octane c1c[n+](ccc1[N+](=O)[O-])[O-].CCCCCCCC 2012-05-16T19:28:46Z 3299 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] octane CCCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=octane O=C3c1ccccc1c2c3cccc2.CCCCCCCC 2012-05-16T19:28:46Z 3300 9-fluorenone O=C3c1ccccc1c2c3cccc2 octane CCCCCCCC 0.110 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=octane c1cc2cccc3c2c(c1)CC3.CCCCCCCC 2012-05-16T19:28:46Z 3301 acenaphthene c1cc2cccc3c2c(c1)CC3 octane CCCCCCCC 0.422 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=octane c1ccc2cc3ccccc3cc2c1.CCCCCCCC 2012-05-16T19:28:46Z 3302 anthracene c1ccc2cc3ccccc3cc2c1 octane CCCCCCCC 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=octane c1ccc(cc1)C(=O)C(=O)c2ccccc2.CCCCCCCC 2012-05-16T19:28:46Z 3303 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 octane CCCCCCCC 0.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=octane O=C(O)c1ccccc1.CCCCCCCC 2012-05-16T19:28:46Z 3304 benzoic acid O=C(O)c1ccccc1 octane CCCCCCCC 0.081 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=octane O=C(c1ccccc1)c2ccccc2.CCCCCCCC 2012-05-16T19:28:46Z 3305 benzophenone O=C(c1ccccc1)c2ccccc2 octane CCCCCCCC 0.434 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzophenone&solvent=octane C1=CC(=O)C=CC1=O.CCCCCCCC 2012-05-16T19:28:46Z 3306 benzoquinone C1=CC(=O)C=CC1=O octane CCCCCCCC 0.047 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoquinone&solvent=octane c1ccc(cc1)c2ccccc2.CCCCCCCC 2012-05-16T19:28:46Z 3307 biphenyl c1ccc(cc1)c2ccccc2 octane CCCCCCCC 0.921 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=octane c1ccc2c(c1)c3ccccc3[nH]2.CCCCCCCC 2012-05-16T19:28:46Z 3308 carbazole c1ccc2c(c1)c3ccccc3[nH]2 octane CCCCCCCC 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbazole&solvent=octane O=C2c1ccccc1C(=O)c3c2cccc3Cl.CCCCCCCC 2012-05-16T19:28:46Z 3309 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl octane CCCCCCCC 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=octane N#CN\C(=N/C)NCCSCc1ncnc1C.CCCCCCCC 2012-05-16T19:28:46Z 3310 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C octane CCCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=octane Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.CCCCCCCC 2012-05-16T19:28:46Z 3311 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F octane CCCCCCCC 0.669 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=octane O=S(=O)(c1ccccc1)c2ccccc2.CCCCCCCC 2012-05-16T19:28:46Z 3312 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 octane CCCCCCCC 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=octane Clc1ccc(NC(=O)N(C)C)cc1Cl.CCCCCCCC 2012-05-16T19:28:46Z 3313 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl octane CCCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=octane c1c(c(cc(c1C)C)C)C.CCCCCCCC 2012-05-16T19:28:46Z 3314 durene c1c(c(cc(c1C)C)C)C octane CCCCCCCC 1.361 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=octane c1ccc-2c(c1)-c3cccc4c3c2ccc4.CCCCCCCC 2012-05-16T19:28:46Z 3315 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 octane CCCCCCCC 0.138 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=octane c1ccc-2c(c1)Cc3c2cccc3.CCCCCCCC 2012-05-16T19:28:46Z 3316 fluorene c1ccc-2c(c1)Cc3c2cccc3 octane CCCCCCCC 0.234 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=octane c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.CCCCCCCC 2012-05-16T19:28:46Z 3317 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl octane CCCCCCCC 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=octane ClC(Cl)(Cl)C(Cl)(Cl)Cl.CCCCCCCC 2012-05-16T19:28:46Z 3318 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl octane CCCCCCCC 1.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=octane Clc1ccc(NC(=O)N(C)C)cc1.CCCCCCCC 2012-05-16T19:28:46Z 3319 monuron Clc1ccc(NC(=O)N(C)C)cc1 octane CCCCCCCC 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=octane c1ccc2ccccc2c1.CCCCCCCC 2012-05-16T19:28:46Z 3320 naphthalene c1ccc2ccccc2c1 octane CCCCCCCC 0.915 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=octane Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.CCCCCCCC 2012-05-16T19:28:46Z 3321 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F octane CCCCCCCC 0.630 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=octane c1ccc2c(c1)ccc3c2cccc3.CCCCCCCC 2012-05-16T19:28:46Z 3322 phenanthrene c1ccc2c(c1)ccc3c2cccc3 octane CCCCCCCC 0.272 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=octane c1ccc2c(c1)Nc3ccccc3S2.CCCCCCCC 2012-05-16T19:28:46Z 3323 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 octane CCCCCCCC 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=octane O=C(O)Cc1ccccc1.CCCCCCCC 2012-05-16T19:28:46Z 3324 phenylacetic acid O=C(O)Cc1ccccc1 octane CCCCCCCC 0.090 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=octane c1cc2ccc3cccc4c3c2c(c1)cc4.CCCCCCCC 2012-05-16T19:28:46Z 3325 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 octane CCCCCCCC 0.084 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=octane S1c3c(Sc2c1cccc2)cccc3.CCCCCCCC 2012-05-16T19:28:46Z 3326 thianthrene S1c3c(Sc2c1cccc2)cccc3 octane CCCCCCCC 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=octane O=C1c3c(Sc2c1cccc2)cccc3.CCCCCCCC 2012-05-16T19:28:46Z 3327 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 octane CCCCCCCC 0.003 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=octane c1ccc(cc1)/C=C/c2ccccc2.CCCCCCCC 2012-05-16T19:28:46Z 3328 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 octane CCCCCCCC 0.077 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=octane O2c1ccccc1Cc3c2cccc3.CCCCCCCC 2012-05-16T19:28:46Z 3329 xanthene O2c1ccccc1Cc3c2cccc3 octane CCCCCCCC 0.250 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=octane c1ccc2cc(ccc2c1)O.Cc1ccc(cc1)C 2012-05-16T19:28:46Z 3330 2-naphthol c1ccc2cc(ccc2c1)O p-xylene Cc1ccc(cc1)C 0.230 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=p-xylene c1ccc2cc3ccccc3cc2c1.Cc1ccc(cc1)C 2012-05-16T19:28:46Z 3331 anthracene c1ccc2cc3ccccc3cc2c1 p-xylene Cc1ccc(cc1)C 0.060 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=p-xylene c1ccc(cc1)C(C(=O)c2ccccc2)O.Cc1ccc(cc1)C 2012-05-16T19:28:46Z 3332 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O p-xylene Cc1ccc(cc1)C 0.038 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=p-xylene O=P(c1ccccc1)(c2ccccc2)C.Cc1ccc(cc1)C 2012-05-16T19:28:46Z 3333 methyl diphenylphosphine oxide O=P(c1ccccc1)(c2ccccc2)C p-xylene Cc1ccc(cc1)C 0.142 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+diphenylphosphine+oxide&solvent=p-xylene c1cc2ccc3cccc4c3c2c(c1)cc4.Cc1ccc(cc1)C 2012-05-16T19:28:46Z 3334 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 p-xylene Cc1ccc(cc1)C 0.548 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=p-xylene c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.Cc1ccc(cc1)C 2012-05-16T19:28:46Z 3335 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 p-xylene Cc1ccc(cc1)C 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=p-xylene O=C1c3c(Sc2c1cccc2)cccc3.Cc1ccc(cc1)C 2012-05-16T19:28:46Z 3336 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 p-xylene Cc1ccc(cc1)C 0.044 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=p-xylene c1ccc(cc1)/C=C/c2ccccc2.Cc1ccc(cc1)C 2012-05-16T19:28:46Z 3337 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 p-xylene Cc1ccc(cc1)C 0.507 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=p-xylene Clc2ccc(OC(C(=O)C(C)(C)C)n1ncnc1)cc2.Cc1ccc(cc1)C 2012-05-16T19:28:46Z 3338 triadimefon Clc2ccc(OC(C(=O)C(C)(C)C)n1ncnc1)cc2 p-xylene Cc1ccc(cc1)C 1.058 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triadimefon&solvent=p-xylene Clc1cccc(Cl)c1Cl.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3339 1,2,3-trichlorobenzene Clc1cccc(Cl)c1Cl PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.413 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,3-trichlorobenzene&solvent=PEG400 c1ccc2cc(ccc2c1)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3340 2-naphthol c1ccc2cc(ccc2c1)O PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.718 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=PEG400 O=C(O)c1ccc(N)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3341 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=PEG400 CC(=O)Nc1ccc(cc1)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3342 acetaminophen CC(=O)Nc1ccc(cc1)O PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.865 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=PEG400 O=S(=O)(c1nnc(s1)NC(=O)C)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3343 acetazolamide O=S(=O)(c1nnc(s1)NC(=O)C)N PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.048 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetazolamide&solvent=PEG400 c1[nH]c2c(ncnc2n1)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3344 adenine c1[nH]c2c(ncnc2n1)N PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adenine&solvent=PEG400 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3345 adenosine c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adenosine&solvent=PEG400 O=C2\C(=C(/N(N2c1ccccc1)C)C)N(C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3346 aminopyrine O=C2\C(=C(/N(N2c1ccccc1)C)C)N(C)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.256 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aminopyrine&solvent=PEG400 O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccccc1)N)[C@H]3SC2(C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3347 ampicillin O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccccc1)N)[C@H]3SC2(C)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ampicillin&solvent=PEG400 CC(=O)Oc1ccccc1C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3348 aspirin CC(=O)Oc1ccccc1C(=O)O PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.738 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aspirin&solvent=PEG400 CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3349 atropine CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.046 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=atropine&solvent=PEG400 [O-][N+](=O)c3ncn(c3Sc1ncnc2ncnc12)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3350 azathioprine [O-][N+](=O)c3ncn(c3Sc1ncnc2ncnc12)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.041 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=azathioprine&solvent=PEG400 c1ccc(cc1)C(=O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3351 benzamide c1ccc(cc1)C(=O)N PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.279 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzamide&solvent=PEG400 O=C(OCC)c1ccc(N)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3352 benzocaine O=C(OCC)c1ccc(N)cc1 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 1.112 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=PEG400 c1ccc(cc1)C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3353 benzoic acid c1ccc(cc1)C(=O)O PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 1.656 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=PEG400 O=S(=O)(c2cc(cc(NCCCC)c2Oc1ccccc1)C(=O)O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3354 bumetanide O=S(=O)(c2cc(cc(NCCCC)c2Oc1ccccc1)C(=O)O)N PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.301 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=bumetanide&solvent=PEG400 O=C(OCCCC)c1ccc(N)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3355 butyl p-aminobenzoate O=C(OCCCC)c1ccc(N)cc1 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2.985 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butyl+p-aminobenzoate&solvent=PEG400 O=C(OCCCC)c1ccc(O)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3356 butylparaben O=C(OCCCC)c1ccc(O)cc1 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2.661 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butylparaben&solvent=PEG400 Cn1cnc2c1c(=O)n(c(=O)n2C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3357 caffeine Cn1cnc2c1c(=O)n(c(=O)n2C)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.060 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caffeine&solvent=PEG400 c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3358 carbamazepine c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.137 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbamazepine&solvent=PEG400 O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)[C@@H](C/3=C/C\C=C/C\3)N)C)C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3359 cephradine O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)[C@@H](C/3=C/C\C=C/C\3)N)C)C(=O)O PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cephradine&solvent=PEG400 ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3360 chloramphenicol ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.474 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloramphenicol&solvent=PEG400 O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3361 chlorthalidone O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.132 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chlorthalidone&solvent=PEG400 Clc2cc1c(OC(=O)N1)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3362 chlorzoxazone Clc2cc1c(OC(=O)N1)cc2 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.321 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chlorzoxazone&solvent=PEG400 N#CN\C(=N/C)NCCSCc1ncnc1C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3363 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.158 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=PEG400 Clc1ccc(cc1)NC=3/C(=N/C(C)C)/C=C2/N(c4c(\N=C2C=3)cccc4)c5ccc(Cl)cc5.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3364 clofazimine Clc1ccc(cc1)NC=3/C(=N/C(C)C)/C=C2/N(c4c(\N=C2C=3)cccc4)c5ccc(Cl)cc5 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.019 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=clofazimine&solvent=PEG400 O=C(CO)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3365 cortisone O=C(CO)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.022 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cortisone&solvent=PEG400 c1cnc(=O)[nH]c1N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3366 cytosine c1cnc(=O)[nH]c1N PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cytosine&solvent=PEG400 O=S(=O)(c1ccc(N)cc1)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3367 dapsone O=S(=O)(c1ccc(N)cc1)c2ccc(N)cc2 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.179 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dapsone&solvent=PEG400 O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3368 deoxycorticosterone O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.109 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=deoxycorticosterone&solvent=PEG400 O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3C)C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3369 dexamethasone O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3C)C)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.042 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dexamethasone&solvent=PEG400 Ic1c(c(I)c(c(I)c1NC(=O)C)C(=O)O)NC(=O)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3370 diatrizoic acid Ic1c(c(I)c(c(I)c1NC(=O)C)C(=O)O)NC(=O)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.101 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diatrizoic+acid&solvent=PEG400 O=C(O)c1cc(ccc1O)c2ccc(F)cc2F.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3371 diflunisal O=C(O)c1cc(ccc1O)c2ccc(F)cc2F PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.047 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diflunisal&solvent=PEG400 OC2C/C1=C/CC5C(C1(C)CC2)CCC6(C4C(OC3(OCC(CC3)C)C4C)CC56)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3372 diosgenin OC2C/C1=C/CC5C(C1(C)CC2)CCC6(C4C(OC3(OCC(CC3)C)C4C)CC56)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diosgenin&solvent=PEG400 O=C(N)C(c1ncccc1)(c2ccccc2)CCN(C(C)C)C(C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3373 disopyramide O=C(N)C(c1ncccc1)(c2ccccc2)CCN(C(C)C)C(C)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.458 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=disopyramide&solvent=PEG400 O=C3CC[C@H]4C/2=C/Cc1c(ccc(O)c1)[C@H]\2CC[C@]34C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3374 equilin O=C3CC[C@H]4C/2=C/Cc1c(ccc(O)c1)[C@H]\2CC[C@]34C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.064 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=equilin&solvent=PEG400 Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@H](O)CC[C@H]4[C@@H]2CC3)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3375 estradiol-17-alpha Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@H](O)CC[C@H]4[C@@H]2CC3)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.042 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estradiol-17-alpha&solvent=PEG400 Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](O)[C@H](O)C[C@H]4[C@@H]2CC3)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3376 estriol Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](O)[C@H](O)C[C@H]4[C@@H]2CC3)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.046 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estriol&solvent=PEG400 O=C4[C@]3(CC[C@@H]2c1ccc(O)cc1CC[C@H]2[C@@H]3CC4)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3377 estrone O=C4[C@]3(CC[C@@H]2c1ccc(O)cc1CC[C@H]2[C@@H]3CC4)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estrone&solvent=PEG400 O=C(OCC)c1ccc(O)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3378 ethylparaben O=C(OCC)c1ccc(O)cc1 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 1.746 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethylparaben&solvent=PEG400 O=C(O)CCC(=O)c2ccc(c1ccccc1)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3379 fenbufen O=C(O)CCC(=O)c2ccc(c1ccccc1)cc2 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.099 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fenbufen&solvent=PEG400 FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3380 flufenamic acid FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.084 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=flufenamic+acid&solvent=PEG400 Fc2cc(ccc2c1ccccc1)C(C(=O)O)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3381 flurbiprofen Fc2cc(ccc2c1ccccc1)C(C(=O)O)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 1.265 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=flurbiprofen&solvent=PEG400 O=C(OCC(O)CO)c1ccccc1Nc2c3ccc(Cl)cc3ncc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3382 glafenine O=C(OCC(O)CO)c1ccccc1Nc2c3ccc(Cl)cc3ncc2 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.044 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=glafenine&solvent=PEG400 O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3383 griseofulvin O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.689 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=griseofulvin&solvent=PEG400 O(c1ccccc1OC)CC(O)CO.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3384 guaifenesin O(c1ccccc1OC)CC(O)CO PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.492 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=guaifenesin&solvent=PEG400 c1[nH]c2c(n1)c(=O)[nH]c(n2)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3385 guanine c1[nH]c2c(n1)c(=O)[nH]c(n2)N PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=guanine&solvent=PEG400 O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3386 hydrochlorothiazide O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.085 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrochlorothiazide&solvent=PEG400 O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3387 hydrocortisone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrocortisone&solvent=PEG400 FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3388 hydroflumethiazide FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.033 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydroflumethiazide&solvent=PEG400 CC(C)Cc1ccc(cc1)C(C)C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3389 ibuprofen CC(C)Cc1ccc(cc1)C(C)C(=O)O PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 1.199 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=PEG400 O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)NN3c2ccccc2CC3C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3390 indapamide O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)NN3c2ccccc2CC3C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.240 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=indapamide&solvent=PEG400 O=C(O)C(c1ccc(cc1)N3C(=O)c2ccccc2C3)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3391 indoprofen O=C(O)C(c1ccc(cc1)N3C(=O)c2ccccc2C3)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.054 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=indoprofen&solvent=PEG400 Ic1c(c(I)c(N)c(I)c1)CC(C(=O)O)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3392 iopanoic acid Ic1c(c(I)c(N)c(I)c1)CC(C(=O)O)CC PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.270 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=iopanoic+acid&solvent=PEG400 CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3393 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.955 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=PEG400 O=C(O)c2c(Nc1cccc(c1C)C)cccc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3394 mefenamic acid O=C(O)c2c(Nc1cccc(c1C)C)cccc2 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.088 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=mefenamic+acid&solvent=PEG400 COC(=O)c1ccc(cc1)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3395 methylparaben COC(=O)c1ccc(cc1)O PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.144 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=PEG400 [O-][N+](=O)c1cnc(n1CCO)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3396 metronidazole [O-][N+](=O)c1cnc(n1CCO)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.069 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=metronidazole&solvent=PEG400 N\C1=C\C(=N/C(=N)N1O)N2CCCCC2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3397 minoxidil N\C1=C\C(=N/C(=N)N1O)N2CCCCC2 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=minoxidil&solvent=PEG400 OC(CNC(C)(C)C)COc1cccc2c1C[C@H](O)[C@H](O)C2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3398 nadolol OC(CNC(C)(C)C)COc1cccc2c1C[C@H](O)[C@H](O)C2 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.077 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nadolol&solvent=PEG400 O=C\2c1c(nc(cc1)C)N(/C=C/2C(=O)O)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3399 nalidixic acid O=C\2c1c(nc(cc1)C)N(/C=C/2C(=O)O)CC PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nalidixic+acid&solvent=PEG400 c1ccc2ccccc2c1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3400 naphthalene c1ccc2ccccc2c1 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 1.114 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=PEG400 O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3401 naproxen O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.518 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=PEG400 O=[N+]([O-])c2oc(/C=N/N1C(=O)NC(=O)C1)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3402 nitrofurantoin O=[N+]([O-])c2oc(/C=N/N1C(=O)NC(=O)C1)cc2 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.043 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nitrofurantoin&solvent=PEG400 O=C4\C=C3/[C@@H]([C@H]2CC[C@]1([C@@H](CC[C@]1(C#C)O)[C@@H]2CC3)C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3403 norethisterone O=C4\C=C3/[C@@H]([C@H]2CC[C@]1([C@@H](CC[C@]1(C#C)O)[C@@H]2CC3)C)CC4 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.028 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=norethisterone&solvent=PEG400 O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3404 norfloxacin O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=norfloxacin&solvent=PEG400 O=C(O)c1ccc(cc1O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3405 p-aminosalicylic acid O=C(O)c1ccc(cc1O)N PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.735 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-aminosalicylic+acid&solvent=PEG400 O=C(Nc1ccc(OCC)cc1)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3406 phenacetin O=C(Nc1ccc(OCC)cc1)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.292 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=PEG400 O=C1OC(c2ccccc12)(c3ccc(O)cc3)c4ccc(O)cc4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3407 phenolphthalein O=C1OC(c2ccccc12)(c3ccc(O)cc3)c4ccc(O)cc4 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.074 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenolphthalein&solvent=PEG400 O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3408 phenylbutazone O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.192 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylbutazone&solvent=PEG400 O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3409 prednisolone O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.060 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisolone&solvent=PEG400 O=C1NCNC(=O)C1(c2ccccc2)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3410 primidone O=C1NCNC(=O)C1(c2ccccc2)CC PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=primidone&solvent=PEG400 O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)C)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3411 progesterone O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)C)CC[C@H]3[C@@H]1CC2)C)(C)CC4 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.040 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=progesterone&solvent=PEG400 O=C(OCCC)c1ccc(O)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3412 propylparaben O=C(OCCC)c1ccc(O)cc1 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 1.312 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=propylparaben&solvent=PEG400 O(c4cc1c(nccc1[C@H](O)[C@@H]2N3CC[C@@H](C2)[C@@H](/C=C)C3)cc4)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3413 quinidine O(c4cc1c(nccc1[C@H](O)[C@@H]2N3CC[C@@H](C2)[C@@H](/C=C)C3)cc4)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.068 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=quinidine&solvent=PEG400 COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@H]4CCN3C[C@@H]4C=C)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3414 quinine COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@H]4CCN3C[C@@H]4C=C)O PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.436 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=quinine&solvent=PEG400 O=C(c1ccccc1O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3415 salicylamide O=C(c1ccccc1O)N PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2.143 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=PEG400 c1ccc(c(c1)C(=O)O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3416 salicylic acid c1ccc(c(c1)C(=O)O)O PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2.301 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=PEG400 O=C5O[C@@]4([C@@]3([C@H]([C@@H]2[C@H](SC(=O)C)C/C1=C/C(=O)CC[C@]1(C)[C@H]2CC3)CC4)C)CC5.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3417 spironolactone O=C5O[C@@]4([C@@]3([C@H]([C@@H]2[C@H](SC(=O)C)C/C1=C/C(=O)CC[C@]1(C)[C@H]2CC3)CC4)C)CC5 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.058 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=spironolactone&solvent=PEG400 O=S(=O)(Nc1ncccn1)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3418 sulfadiazine O=S(=O)(Nc1ncccn1)c2ccc(N)cc2 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.067 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfadiazine&solvent=PEG400 O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3419 sulfamethazine O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(N)cc2 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.051 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethazine&solvent=PEG400 O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3420 sulfamethoxazole O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.851 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxazole&solvent=PEG400 O=S(=O)(c1ccc(N)cc1)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3421 sulfanilamide O=S(=O)(c1ccc(N)cc1)N PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.185 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfanilamide&solvent=PEG400 O=S(=O)(Nc1nccs1)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3422 sulfathiazole O=S(=O)(Nc1nccs1)c2ccc(N)cc2 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.687 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfathiazole&solvent=PEG400 O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3423 tenoxicam O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tenoxicam&solvent=PEG400 Cn1cnc2c1c(=O)[nH]c(=O)n2C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3424 theobromine Cn1cnc2c1c(=O)[nH]c(=O)n2C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=theobromine&solvent=PEG400 Cn1c2c(c(=O)n(c1=O)C)[nH]cn2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3425 theophylline Cn1c2c(c(=O)n(c1=O)C)[nH]cn2 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.070 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=theophylline&solvent=PEG400 ClC(Cl)C(=O)N[C@@H]([C@H](O)c1ccc(cc1)S(=O)(=O)C)CO.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3426 thiamphenicol ClC(Cl)C(=O)N[C@@H]([C@H](O)c1ccc(cc1)S(=O)(=O)C)CO PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.273 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiamphenicol&solvent=PEG400 C(=S)(N)N.O(CCO)CCOCCOCCOCCO 2012-05-16T19:28:46Z 3427 thiourea C(=S)(N)N PEG400 O(CCO)CCOCCOCCOCCO 5.696 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiourea&solvent=PEG400 Cc1c[nH]c(=O)[nH]c1=O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3428 thymine Cc1c[nH]c(=O)[nH]c1=O PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.034 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thymine&solvent=PEG400 O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3O)C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3429 triamcinolone O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3O)C)C PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triamcinolone&solvent=PEG400 n1c3c(nc(c1c2ccccc2)N)nc(nc3N)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3430 triamterene n1c3c(nc(c1c2ccccc2)N)nc(nc3N)N PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triamterene&solvent=PEG400 COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3431 trimethoprim COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.056 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trimethoprim&solvent=PEG400 O=C1\C2=C(/NC(=O)N1)NC(=O)N2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3432 uric acid O=C1\C2=C(/NC(=O)N1)NC(=O)N2 PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=uric+acid&solvent=PEG400 c1[nH]c2c(n1)nc(nc2O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 2012-05-16T19:28:46Z 3433 xanthine c1[nH]c2c(n1)nc(nc2O)O PEG400 O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthine&solvent=PEG400 Clc1cccc(Cl)c1Cl.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3434 1,2,3-trichlorobenzene Clc1cccc(Cl)c1Cl PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,3-trichlorobenzene&solvent=PEG400/water(25:75)vol c1ccc2cc(ccc2c1)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3435 2-naphthol c1ccc2cc(ccc2c1)O PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.073 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=PEG400/water(25:75)vol O=C(O)c1ccc(N)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3436 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.224 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=PEG400/water(25:75)vol O=C(O)c1cc(ccc1O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3437 5-aminosalicylic acid O=C(O)c1cc(ccc1O)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-aminosalicylic+acid&solvent=PEG400/water(25:75)vol FC=1\C=N/C(=O)NC=1N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3438 5-fluorocytosine FC=1\C=N/C(=O)NC=1N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.115 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluorocytosine&solvent=PEG400/water(25:75)vol c1c(c(=O)[nH]c(=O)[nH]1)F.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3439 5-fluorouracil c1c(c(=O)[nH]c(=O)[nH]1)F PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.088 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluorouracil&solvent=PEG400/water(25:75)vol O=C2NC(=O)NC2(c1ccccc1)c3ccccc3.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3440 5,5-diphenylhydantoin O=C2NC(=O)NC2(c1ccccc1)c3ccccc3 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5,5-diphenylhydantoin&solvent=PEG400/water(25:75)vol CC(=O)Nc1ccc(cc1)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3441 acetaminophen CC(=O)Nc1ccc(cc1)O PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.358 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=PEG400/water(25:75)vol O=S(=O)(c1nnc(s1)NC(=O)C)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3442 acetazolamide O=S(=O)(c1nnc(s1)NC(=O)C)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetazolamide&solvent=PEG400/water(25:75)vol c1[nH]c2c(ncnc2n1)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3443 adenine c1[nH]c2c(ncnc2n1)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adenine&solvent=PEG400/water(25:75)vol c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3444 adenosine c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adenosine&solvent=PEG400/water(25:75)vol c1c2c([nH]n1)ncnc2O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3445 allopurinol c1c2c([nH]n1)ncnc2O PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=allopurinol&solvent=PEG400/water(25:75)vol O=C2\C(=C(/N(N2c1ccccc1)C)C)N(C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3446 aminopyrine O=C2\C(=C(/N(N2c1ccccc1)C)C)N(C)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.244 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aminopyrine&solvent=PEG400/water(25:75)vol O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccccc1)N)[C@H]3SC2(C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3447 ampicillin O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccccc1)N)[C@H]3SC2(C)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ampicillin&solvent=PEG400/water(25:75)vol CC(=O)Oc1ccccc1C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3448 aspirin CC(=O)Oc1ccccc1C(=O)O PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.083 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aspirin&solvent=PEG400/water(25:75)vol CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3449 atropine CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=atropine&solvent=PEG400/water(25:75)vol [O-][N+](=O)c3ncn(c3Sc1ncnc2ncnc12)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3450 azathioprine [O-][N+](=O)c3ncn(c3Sc1ncnc2ncnc12)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=azathioprine&solvent=PEG400/water(25:75)vol Clc1ccc(cc1)C(CN)CC(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3451 baclofen Clc1ccc(cc1)C(CN)CC(=O)O PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=baclofen&solvent=PEG400/water(25:75)vol c1ccc(cc1)C(=O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3452 benzamide c1ccc(cc1)C(=O)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.308 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzamide&solvent=PEG400/water(25:75)vol O=C(OCC)c1ccc(N)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3453 benzocaine O=C(OCC)c1ccc(N)cc1 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.031 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=PEG400/water(25:75)vol c1ccc(cc1)C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3454 benzoic acid c1ccc(cc1)C(=O)O PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.113 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=PEG400/water(25:75)vol c1ccc(cc1)c2ccccc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3455 biphenyl c1ccc(cc1)c2ccccc2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=PEG400/water(25:75)vol O=S(=O)(c2cc(cc(NCCCC)c2Oc1ccccc1)C(=O)O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3456 bumetanide O=S(=O)(c2cc(cc(NCCCC)c2Oc1ccccc1)C(=O)O)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=bumetanide&solvent=PEG400/water(25:75)vol O=C(OCCCC)c1ccc(N)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3457 butyl p-aminobenzoate O=C(OCCCC)c1ccc(N)cc1 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butyl+p-aminobenzoate&solvent=PEG400/water(25:75)vol O=C(OCCCC)c1ccc(O)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3458 butylparaben O=C(OCCCC)c1ccc(O)cc1 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butylparaben&solvent=PEG400/water(25:75)vol Cn1cnc2c1c(=O)n(c(=O)n2C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3459 caffeine Cn1cnc2c1c(=O)n(c(=O)n2C)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.078 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caffeine&solvent=PEG400/water(25:75)vol c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3460 carbamazepine c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbamazepine&solvent=PEG400/water(25:75)vol O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)[C@@H](C/3=C/C\C=C/C\3)N)C)C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3461 cephradine O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)[C@@H](C/3=C/C\C=C/C\3)N)C)C(=O)O PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.038 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cephradine&solvent=PEG400/water(25:75)vol ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3462 chloramphenicol ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.026 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloramphenicol&solvent=PEG400/water(25:75)vol O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3463 chlorthalidone O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chlorthalidone&solvent=PEG400/water(25:75)vol Clc2cc1c(OC(=O)N1)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3464 chlorzoxazone Clc2cc1c(OC(=O)N1)cc2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chlorzoxazone&solvent=PEG400/water(25:75)vol N#CN\C(=N/C)NCCSCc1ncnc1C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3465 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.094 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=PEG400/water(25:75)vol Clc1ccc(cc1)NC=3/C(=N/C(C)C)/C=C2/N(c4c(\N=C2C=3)cccc4)c5ccc(Cl)cc5.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3466 clofazimine Clc1ccc(cc1)NC=3/C(=N/C(C)C)/C=C2/N(c4c(\N=C2C=3)cccc4)c5ccc(Cl)cc5 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=clofazimine&solvent=PEG400/water(25:75)vol O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3467 corticosterone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=corticosterone&solvent=PEG400/water(25:75)vol O=C(CO)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3468 cortisone O=C(CO)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cortisone&solvent=PEG400/water(25:75)vol c1cnc(=O)[nH]c1N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3469 cytosine c1cnc(=O)[nH]c1N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.079 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cytosine&solvent=PEG400/water(25:75)vol O=S(=O)(c1ccc(N)cc1)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3470 dapsone O=S(=O)(c1ccc(N)cc1)c2ccc(N)cc2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dapsone&solvent=PEG400/water(25:75)vol O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3471 deoxycorticosterone O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=deoxycorticosterone&solvent=PEG400/water(25:75)vol O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3C)C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3472 dexamethasone O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3C)C)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dexamethasone&solvent=PEG400/water(25:75)vol Ic1c(c(I)c(c(I)c1NC(=O)C)C(=O)O)NC(=O)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3473 diatrizoic acid Ic1c(c(I)c(c(I)c1NC(=O)C)C(=O)O)NC(=O)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diatrizoic+acid&solvent=PEG400/water(25:75)vol O=C(O)c1cc(ccc1O)c2ccc(F)cc2F.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3474 diflunisal O=C(O)c1cc(ccc1O)c2ccc(F)cc2F PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diflunisal&solvent=PEG400/water(25:75)vol OC2C/C1=C/CC5C(C1(C)CC2)CCC6(C4C(OC3(OCC(CC3)C)C4C)CC56)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3475 diosgenin OC2C/C1=C/CC5C(C1(C)CC2)CCC6(C4C(OC3(OCC(CC3)C)C4C)CC56)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diosgenin&solvent=PEG400/water(25:75)vol O=C(N)C(c1ncccc1)(c2ccccc2)CCN(C(C)C)C(C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3476 disopyramide O=C(N)C(c1ncccc1)(c2ccccc2)CCN(C(C)C)C(C)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=disopyramide&solvent=PEG400/water(25:75)vol Clc1ccc(NC(=O)N(C)C)cc1Cl.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3477 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=PEG400/water(25:75)vol O=C1CC2CCC1(C)C2(C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3478 DL-camphor O=C1CC2CCC1(C)C2(C)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=DL-camphor&solvent=PEG400/water(25:75)vol O=C3CC[C@H]4C/2=C/Cc1c(ccc(O)c1)[C@H]\2CC[C@]34C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3479 equilin O=C3CC[C@H]4C/2=C/Cc1c(ccc(O)c1)[C@H]\2CC[C@]34C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=equilin&solvent=PEG400/water(25:75)vol Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@H](O)CC[C@H]4[C@@H]2CC3)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3480 estradiol-17-alpha Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@H](O)CC[C@H]4[C@@H]2CC3)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estradiol-17-alpha&solvent=PEG400/water(25:75)vol Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](O)[C@H](O)C[C@H]4[C@@H]2CC3)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3481 estriol Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](O)[C@H](O)C[C@H]4[C@@H]2CC3)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estriol&solvent=PEG400/water(25:75)vol O=C4[C@]3(CC[C@@H]2c1ccc(O)cc1CC[C@H]2[C@@H]3CC4)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3482 estrone O=C4[C@]3(CC[C@@H]2c1ccc(O)cc1CC[C@H]2[C@@H]3CC4)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estrone&solvent=PEG400/water(25:75)vol O=C(OCC)c1ccc(O)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3483 ethylparaben O=C(OCC)c1ccc(O)cc1 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.038 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethylparaben&solvent=PEG400/water(25:75)vol Oc1cc4c(cc1)[C@H]3CC[C@]2([C@@H](CC[C@]2(C#C)O)[C@@H]3CC4)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3484 ethynylestradiol-17-alpha Oc1cc4c(cc1)[C@H]3CC[C@]2([C@@H](CC[C@]2(C#C)O)[C@@H]3CC4)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethynylestradiol-17-alpha&solvent=PEG400/water(25:75)vol O=C(O)CCC(=O)c2ccc(c1ccccc1)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3485 fenbufen O=C(O)CCC(=O)c2ccc(c1ccccc1)cc2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fenbufen&solvent=PEG400/water(25:75)vol FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3486 flufenamic acid FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=flufenamic+acid&solvent=PEG400/water(25:75)vol Fc2cc(ccc2c1ccccc1)C(C(=O)O)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3487 flurbiprofen Fc2cc(ccc2c1ccccc1)C(C(=O)O)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=flurbiprofen&solvent=PEG400/water(25:75)vol c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(=O)nc([nH]3)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3488 folic acid c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(=O)nc([nH]3)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=folic+acid&solvent=PEG400/water(25:75)vol O=C(OCC(O)CO)c1ccccc1Nc2c3ccc(Cl)cc3ncc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3489 glafenine O=C(OCC(O)CO)c1ccccc1Nc2c3ccc(Cl)cc3ncc2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=glafenine&solvent=PEG400/water(25:75)vol O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3490 griseofulvin O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=griseofulvin&solvent=PEG400/water(25:75)vol O(c1ccccc1OC)CC(O)CO.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3491 guaifenesin O(c1ccccc1OC)CC(O)CO PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.429 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=guaifenesin&solvent=PEG400/water(25:75)vol c1[nH]c2c(n1)c(=O)[nH]c(n2)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3492 guanine c1[nH]c2c(n1)c(=O)[nH]c(n2)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=guanine&solvent=PEG400/water(25:75)vol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3493 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=PEG400/water(25:75)vol O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3494 hydrochlorothiazide O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrochlorothiazide&solvent=PEG400/water(25:75)vol O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3495 hydrocortisone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrocortisone&solvent=PEG400/water(25:75)vol FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3496 hydroflumethiazide FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydroflumethiazide&solvent=PEG400/water(25:75)vol O=C(OC2CC1N(C)C(CC1)C2)[C@@H](c3ccccc3)CO.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3497 hyoscyamine O=C(OC2CC1N(C)C(CC1)C2)[C@@H](c3ccccc3)CO PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.044 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hyoscyamine&solvent=PEG400/water(25:75)vol CC(C)Cc1ccc(cc1)C(C)C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3498 ibuprofen CC(C)Cc1ccc(cc1)C(C)C(=O)O PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=PEG400/water(25:75)vol O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)NN3c2ccccc2CC3C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3499 indapamide O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)NN3c2ccccc2CC3C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=indapamide&solvent=PEG400/water(25:75)vol O=C(O)C(c1ccc(cc1)N3C(=O)c2ccccc2C3)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3500 indoprofen O=C(O)C(c1ccc(cc1)N3C(=O)c2ccccc2C3)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=indoprofen&solvent=PEG400/water(25:75)vol Ic1c(c(I)c(N)c(I)c1)CC(C(=O)O)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3501 iopanoic acid Ic1c(c(I)c(N)c(I)c1)CC(C(=O)O)CC PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=iopanoic+acid&solvent=PEG400/water(25:75)vol CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3502 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=PEG400/water(25:75)vol O=C/1c3c(O\C(=C\1)C)c(OC)c2occc2c3OC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3503 khellin O=C/1c3c(O\C(=C\1)C)c(OC)c2occc2c3OC PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=khellin&solvent=PEG400/water(25:75)vol Clc1ccc(NC(=O)N(OC)C)cc1Cl.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3504 linuron Clc1ccc(NC(=O)N(OC)C)cc1Cl PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=linuron&solvent=PEG400/water(25:75)vol O=C(O)c2c(Nc1cccc(c1C)C)cccc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3505 mefenamic acid O=C(O)c2c(Nc1cccc(c1C)C)cccc2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=mefenamic+acid&solvent=PEG400/water(25:75)vol O=C(OCC(O)COc1ccccc1OC)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3506 methocarbamol O=C(OCC(O)COc1ccccc1OC)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.043 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methocarbamol&solvent=PEG400/water(25:75)vol COC(=O)c1ccc(cc1)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3507 methylparaben COC(=O)c1ccc(cc1)O PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.080 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=PEG400/water(25:75)vol [O-][N+](=O)c1cnc(n1CCO)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3508 metronidazole [O-][N+](=O)c1cnc(n1CCO)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.062 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=metronidazole&solvent=PEG400/water(25:75)vol N\C1=C\C(=N/C(=N)N1O)N2CCCCC2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3509 minoxidil N\C1=C\C(=N/C(=N)N1O)N2CCCCC2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.034 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=minoxidil&solvent=PEG400/water(25:75)vol OC(CNC(C)(C)C)COc1cccc2c1C[C@H](O)[C@H](O)C2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3510 nadolol OC(CNC(C)(C)C)COc1cccc2c1C[C@H](O)[C@H](O)C2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.068 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nadolol&solvent=PEG400/water(25:75)vol O=C\2c1c(nc(cc1)C)N(/C=C/2C(=O)O)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3511 nalidixic acid O=C\2c1c(nc(cc1)C)N(/C=C/2C(=O)O)CC PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nalidixic+acid&solvent=PEG400/water(25:75)vol c1ccc2ccccc2c1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3512 naphthalene c1ccc2ccccc2c1 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=PEG400/water(25:75)vol O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3513 naproxen O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=PEG400/water(25:75)vol O=[N+]([O-])c2oc(/C=N/N1C(=O)NC(=O)C1)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3514 nitrofurantoin O=[N+]([O-])c2oc(/C=N/N1C(=O)NC(=O)C1)cc2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nitrofurantoin&solvent=PEG400/water(25:75)vol O=C4\C=C3/[C@@H]([C@H]2CC[C@]1([C@@H](CC[C@]1(C#C)O)[C@@H]2CC3)C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3515 norethisterone O=C4\C=C3/[C@@H]([C@H]2CC[C@]1([C@@H](CC[C@]1(C#C)O)[C@@H]2CC3)C)CC4 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=norethisterone&solvent=PEG400/water(25:75)vol O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3516 norfloxacin O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=norfloxacin&solvent=PEG400/water(25:75)vol O=C(O)c1ccc(cc1O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3517 p-aminosalicylic acid O=C(O)c1ccc(cc1O)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.056 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-aminosalicylic+acid&solvent=PEG400/water(25:75)vol Clc2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(CCO)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3518 perphenazine Clc2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(CCO)CC4 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=perphenazine&solvent=PEG400/water(25:75)vol O=C(Nc1ccc(OCC)cc1)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3519 phenacetin O=C(Nc1ccc(OCC)cc1)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=PEG400/water(25:75)vol O=C1OC(c2ccccc12)(c3ccc(O)cc3)c4ccc(O)cc4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3520 phenolphthalein O=C1OC(c2ccccc12)(c3ccc(O)cc3)c4ccc(O)cc4 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenolphthalein&solvent=PEG400/water(25:75)vol O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3521 phenylbutazone O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylbutazone&solvent=PEG400/water(25:75)vol O=C4N2C(c1c(cccc1)CC2)CN(C(=O)C3CCCCC3)C4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3522 praziquantel O=C4N2C(c1c(cccc1)CC2)CN(C(=O)C3CCCCC3)C4 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=praziquantel&solvent=PEG400/water(25:75)vol O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3523 prednisolone O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisolone&solvent=PEG400/water(25:75)vol O=C1NCNC(=O)C1(c2ccccc2)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3524 primidone O=C1NCNC(=O)C1(c2ccccc2)CC PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=primidone&solvent=PEG400/water(25:75)vol O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)C)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3525 progesterone O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)C)CC[C@H]3[C@@H]1CC2)C)(C)CC4 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=progesterone&solvent=PEG400/water(25:75)vol O=C(OCCC)c1ccc(O)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3526 propylparaben O=C(OCCC)c1ccc(O)cc1 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=propylparaben&solvent=PEG400/water(25:75)vol O=C(N)c1nccnc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3527 pyrazinamide O=C(N)c1nccnc1 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.301 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrazinamide&solvent=PEG400/water(25:75)vol O(c4cc1c(nccc1[C@H](O)[C@@H]2N3CC[C@@H](C2)[C@@H](/C=C)C3)cc4)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3528 quinidine O(c4cc1c(nccc1[C@H](O)[C@@H]2N3CC[C@@H](C2)[C@@H](/C=C)C3)cc4)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=quinidine&solvent=PEG400/water(25:75)vol COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@H]4CCN3C[C@@H]4C=C)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3529 quinine COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@H]4CCN3C[C@@H]4C=C)O PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=quinine&solvent=PEG400/water(25:75)vol O=C(c1ccccc1O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3530 salicylamide O=C(c1ccccc1O)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.094 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=PEG400/water(25:75)vol c1ccc(c(c1)C(=O)O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3531 salicylic acid c1ccc(c(c1)C(=O)O)O PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.067 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=PEG400/water(25:75)vol O=C5O[C@@]4([C@@]3([C@H]([C@@H]2[C@H](SC(=O)C)C/C1=C/C(=O)CC[C@]1(C)[C@H]2CC3)CC4)C)CC5.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3532 spironolactone O=C5O[C@@]4([C@@]3([C@H]([C@@H]2[C@H](SC(=O)C)C/C1=C/C(=O)CC[C@]1(C)[C@H]2CC3)CC4)C)CC5 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=spironolactone&solvent=PEG400/water(25:75)vol O=C7N2c1ccccc1C64C2C3C(OC/C=C5\C3CC6N(CC4)C5)C7.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3533 strychnine O=C7N2c1ccccc1C64C2C3C(OC/C=C5\C3CC6N(CC4)C5)C7 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=strychnine&solvent=PEG400/water(25:75)vol O=S(=O)(c1ccc(N)cc1)NC(=O)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3534 sulfacetamide O=S(=O)(c1ccc(N)cc1)NC(=O)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.149 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfacetamide&solvent=PEG400/water(25:75)vol O=S(=O)(Nc1ncccn1)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3535 sulfadiazine O=S(=O)(Nc1ncccn1)c2ccc(N)cc2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfadiazine&solvent=PEG400/water(25:75)vol O=S(=O)(Nc1nc(ccn1)C)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3536 sulfamerazine O=S(=O)(Nc1nc(ccn1)C)c2ccc(N)cc2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamerazine&solvent=PEG400/water(25:75)vol O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3537 sulfamethazine O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(N)cc2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethazine&solvent=PEG400/water(25:75)vol O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3538 sulfamethoxazole O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxazole&solvent=PEG400/water(25:75)vol O=S(=O)(c1ccc(N)cc1)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3539 sulfanilamide O=S(=O)(c1ccc(N)cc1)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.170 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfanilamide&solvent=PEG400/water(25:75)vol O=S(=O)(Nc1nccs1)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3540 sulfathiazole O=S(=O)(Nc1nccs1)c2ccc(N)cc2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfathiazole&solvent=PEG400/water(25:75)vol O=S(c1ccc(cc1)\C=C3/c2ccc(F)cc2\C(=C3C)CC(=O)O)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3541 sulindac O=S(c1ccc(cc1)\C=C3/c2ccc(F)cc2\C(=C3C)CC(=O)O)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulindac&solvent=PEG400/water(25:75)vol O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3542 sulpiride O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulpiride&solvent=PEG400/water(25:75)vol O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3543 tenoxicam O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tenoxicam&solvent=PEG400/water(25:75)vol OC(c1ccccc1)(c2ccccc2)C4CCN(CCCC(O)c3ccc(cc3)C(C)(C)C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3544 terfenadine OC(c1ccccc1)(c2ccccc2)C4CCN(CCCC(O)c3ccc(cc3)C(C)(C)C)CC4 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=terfenadine&solvent=PEG400/water(25:75)vol CCN(CC)C(=S)SSC(=S)N(CC)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3545 tetraethylthiuram disulfide CCN(CC)C(=S)SSC(=S)N(CC)CC PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraethylthiuram+disulfide&solvent=PEG400/water(25:75)vol Cn1cnc2c1c(=O)[nH]c(=O)n2C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3546 theobromine Cn1cnc2c1c(=O)[nH]c(=O)n2C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=theobromine&solvent=PEG400/water(25:75)vol Cn1c2c(c(=O)n(c1=O)C)[nH]cn2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3547 theophylline Cn1c2c(c(=O)n(c1=O)C)[nH]cn2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.049 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=theophylline&solvent=PEG400/water(25:75)vol ClC(Cl)C(=O)N[C@@H]([C@H](O)c1ccc(cc1)S(=O)(=O)C)CO.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3548 thiamphenicol ClC(Cl)C(=O)N[C@@H]([C@H](O)c1ccc(cc1)S(=O)(=O)C)CO PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.026 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiamphenicol&solvent=PEG400/water(25:75)vol Cc1c[nH]c(=O)[nH]c1=O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3549 thymine Cc1c[nH]c(=O)[nH]c1=O PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.032 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thymine&solvent=PEG400/water(25:75)vol O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3O)C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3550 triamcinolone O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3O)C)C PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triamcinolone&solvent=PEG400/water(25:75)vol n1c3c(nc(c1c2ccccc2)N)nc(nc3N)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3551 triamterene n1c3c(nc(c1c2ccccc2)N)nc(nc3N)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triamterene&solvent=PEG400/water(25:75)vol COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3552 trimethoprim COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trimethoprim&solvent=PEG400/water(25:75)vol c1c[nH]c(=O)[nH]c1=O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3553 uracil c1c[nH]c(=O)[nH]c1=O PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=uracil&solvent=PEG400/water(25:75)vol O=C1\C2=C(/NC(=O)N1)NC(=O)N2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3554 uric acid O=C1\C2=C(/NC(=O)N1)NC(=O)N2 PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=uric+acid&solvent=PEG400/water(25:75)vol c1[nH]c2c(n1)nc(nc2O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3555 xanthine c1[nH]c2c(n1)nc(nc2O)O PEG400/water(25:75)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthine&solvent=PEG400/water(25:75)vol Clc1cccc(Cl)c1Cl.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3556 1,2,3-trichlorobenzene Clc1cccc(Cl)c1Cl PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,3-trichlorobenzene&solvent=PEG400/water(50:50)vol c1ccc2cc(ccc2c1)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3557 2-naphthol c1ccc2cc(ccc2c1)O PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.879 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=PEG400/water(50:50)vol O=C(O)c1ccc(N)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3558 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.925 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=PEG400/water(50:50)vol O=C(O)c1cc(ccc1O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3559 5-aminosalicylic acid O=C(O)c1cc(ccc1O)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-aminosalicylic+acid&solvent=PEG400/water(50:50)vol FC=1\C=N/C(=O)NC=1N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3560 5-fluorocytosine FC=1\C=N/C(=O)NC=1N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.053 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluorocytosine&solvent=PEG400/water(50:50)vol c1c(c(=O)[nH]c(=O)[nH]1)F.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3561 5-fluorouracil c1c(c(=O)[nH]c(=O)[nH]1)F PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.117 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluorouracil&solvent=PEG400/water(50:50)vol O=C2NC(=O)NC2(c1ccccc1)c3ccccc3.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3562 5,5-diphenylhydantoin O=C2NC(=O)NC2(c1ccccc1)c3ccccc3 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5,5-diphenylhydantoin&solvent=PEG400/water(50:50)vol CC(=O)Nc1ccc(cc1)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3563 acetaminophen CC(=O)Nc1ccc(cc1)O PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.946 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=PEG400/water(50:50)vol O=S(=O)(c1nnc(s1)NC(=O)C)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3564 acetazolamide O=S(=O)(c1nnc(s1)NC(=O)C)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.047 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetazolamide&solvent=PEG400/water(50:50)vol c1[nH]c2c(ncnc2n1)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3565 adenine c1[nH]c2c(ncnc2n1)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.039 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adenine&solvent=PEG400/water(50:50)vol c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3566 adenosine c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.060 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adenosine&solvent=PEG400/water(50:50)vol c1c2c([nH]n1)ncnc2O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3567 allopurinol c1c2c([nH]n1)ncnc2O PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.045 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=allopurinol&solvent=PEG400/water(50:50)vol O=C2\C(=C(/N(N2c1ccccc1)C)C)N(C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3568 aminopyrine O=C2\C(=C(/N(N2c1ccccc1)C)C)N(C)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.225 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aminopyrine&solvent=PEG400/water(50:50)vol O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccccc1)N)[C@H]3SC2(C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3569 ampicillin O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccccc1)N)[C@H]3SC2(C)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ampicillin&solvent=PEG400/water(50:50)vol CC(=O)Oc1ccccc1C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3570 aspirin CC(=O)Oc1ccccc1C(=O)O PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.273 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aspirin&solvent=PEG400/water(50:50)vol CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3571 atropine CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=atropine&solvent=PEG400/water(50:50)vol [O-][N+](=O)c3ncn(c3Sc1ncnc2ncnc12)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3572 azathioprine [O-][N+](=O)c3ncn(c3Sc1ncnc2ncnc12)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=azathioprine&solvent=PEG400/water(50:50)vol Clc1ccc(cc1)C(CN)CC(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3573 baclofen Clc1ccc(cc1)C(CN)CC(=O)O PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=baclofen&solvent=PEG400/water(50:50)vol c1ccc(cc1)C(=O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3574 benzamide c1ccc(cc1)C(=O)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.641 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzamide&solvent=PEG400/water(50:50)vol O=C(OCC)c1ccc(N)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3575 benzocaine O=C(OCC)c1ccc(N)cc1 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.160 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=PEG400/water(50:50)vol c1ccc(cc1)C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3576 benzoic acid c1ccc(cc1)C(=O)O PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.679 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=PEG400/water(50:50)vol c1ccc(cc1)c2ccccc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3577 biphenyl c1ccc(cc1)c2ccccc2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=PEG400/water(50:50)vol O=S(=O)(c2cc(cc(NCCCC)c2Oc1ccccc1)C(=O)O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3578 bumetanide O=S(=O)(c2cc(cc(NCCCC)c2Oc1ccccc1)C(=O)O)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=bumetanide&solvent=PEG400/water(50:50)vol O=C(OCCCC)c1ccc(N)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3579 butyl p-aminobenzoate O=C(OCCCC)c1ccc(N)cc1 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.093 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butyl+p-aminobenzoate&solvent=PEG400/water(50:50)vol O=C(OCCCC)c1ccc(O)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3580 butylparaben O=C(OCCCC)c1ccc(O)cc1 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.124 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butylparaben&solvent=PEG400/water(50:50)vol Cn1cnc2c1c(=O)n(c(=O)n2C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3581 caffeine Cn1cnc2c1c(=O)n(c(=O)n2C)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.074 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caffeine&solvent=PEG400/water(50:50)vol c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3582 carbamazepine c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.037 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbamazepine&solvent=PEG400/water(50:50)vol O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)[C@@H](C/3=C/C\C=C/C\3)N)C)C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3583 cephradine O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)[C@@H](C/3=C/C\C=C/C\3)N)C)C(=O)O PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cephradine&solvent=PEG400/water(50:50)vol ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3584 chloramphenicol ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.116 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloramphenicol&solvent=PEG400/water(50:50)vol O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3585 chlorthalidone O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.054 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chlorthalidone&solvent=PEG400/water(50:50)vol Clc2cc1c(OC(=O)N1)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3586 chlorzoxazone Clc2cc1c(OC(=O)N1)cc2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.032 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chlorzoxazone&solvent=PEG400/water(50:50)vol N#CN\C(=N/C)NCCSCc1ncnc1C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3587 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.214 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=PEG400/water(50:50)vol Clc1ccc(cc1)NC=3/C(=N/C(C)C)/C=C2/N(c4c(\N=C2C=3)cccc4)c5ccc(Cl)cc5.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3588 clofazimine Clc1ccc(cc1)NC=3/C(=N/C(C)C)/C=C2/N(c4c(\N=C2C=3)cccc4)c5ccc(Cl)cc5 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=clofazimine&solvent=PEG400/water(50:50)vol O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3589 corticosterone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=corticosterone&solvent=PEG400/water(50:50)vol O=C(CO)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3590 cortisone O=C(CO)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cortisone&solvent=PEG400/water(50:50)vol c1cnc(=O)[nH]c1N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3591 cytosine c1cnc(=O)[nH]c1N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.090 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cytosine&solvent=PEG400/water(50:50)vol O=S(=O)(c1ccc(N)cc1)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3592 dapsone O=S(=O)(c1ccc(N)cc1)c2ccc(N)cc2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.278 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dapsone&solvent=PEG400/water(50:50)vol O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3593 deoxycorticosterone O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=deoxycorticosterone&solvent=PEG400/water(50:50)vol O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3C)C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3594 dexamethasone O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3C)C)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dexamethasone&solvent=PEG400/water(50:50)vol Ic1c(c(I)c(c(I)c1NC(=O)C)C(=O)O)NC(=O)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3595 diatrizoic acid Ic1c(c(I)c(c(I)c1NC(=O)C)C(=O)O)NC(=O)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diatrizoic+acid&solvent=PEG400/water(50:50)vol O=C(O)c1cc(ccc1O)c2ccc(F)cc2F.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3596 diflunisal O=C(O)c1cc(ccc1O)c2ccc(F)cc2F PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diflunisal&solvent=PEG400/water(50:50)vol OC2C/C1=C/CC5C(C1(C)CC2)CCC6(C4C(OC3(OCC(CC3)C)C4C)CC56)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3597 diosgenin OC2C/C1=C/CC5C(C1(C)CC2)CCC6(C4C(OC3(OCC(CC3)C)C4C)CC56)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diosgenin&solvent=PEG400/water(50:50)vol O=C(N)C(c1ncccc1)(c2ccccc2)CCN(C(C)C)C(C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3598 disopyramide O=C(N)C(c1ncccc1)(c2ccccc2)CCN(C(C)C)C(C)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.036 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=disopyramide&solvent=PEG400/water(50:50)vol Clc1ccc(NC(=O)N(C)C)cc1Cl.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3599 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=PEG400/water(50:50)vol O=C1CC2CCC1(C)C2(C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3600 DL-camphor O=C1CC2CCC1(C)C2(C)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.038 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=DL-camphor&solvent=PEG400/water(50:50)vol O=C3CC[C@H]4C/2=C/Cc1c(ccc(O)c1)[C@H]\2CC[C@]34C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3601 equilin O=C3CC[C@H]4C/2=C/Cc1c(ccc(O)c1)[C@H]\2CC[C@]34C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=equilin&solvent=PEG400/water(50:50)vol Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@H](O)CC[C@H]4[C@@H]2CC3)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3602 estradiol-17-alpha Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@H](O)CC[C@H]4[C@@H]2CC3)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estradiol-17-alpha&solvent=PEG400/water(50:50)vol Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](O)[C@H](O)C[C@H]4[C@@H]2CC3)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3603 estriol Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](O)[C@H](O)C[C@H]4[C@@H]2CC3)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estriol&solvent=PEG400/water(50:50)vol O=C4[C@]3(CC[C@@H]2c1ccc(O)cc1CC[C@H]2[C@@H]3CC4)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3604 estrone O=C4[C@]3(CC[C@@H]2c1ccc(O)cc1CC[C@H]2[C@@H]3CC4)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estrone&solvent=PEG400/water(50:50)vol O=C(OCC)c1ccc(O)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3605 ethylparaben O=C(OCC)c1ccc(O)cc1 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.335 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethylparaben&solvent=PEG400/water(50:50)vol Oc1cc4c(cc1)[C@H]3CC[C@]2([C@@H](CC[C@]2(C#C)O)[C@@H]3CC4)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3606 ethynylestradiol-17-alpha Oc1cc4c(cc1)[C@H]3CC[C@]2([C@@H](CC[C@]2(C#C)O)[C@@H]3CC4)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethynylestradiol-17-alpha&solvent=PEG400/water(50:50)vol O=C(O)CCC(=O)c2ccc(c1ccccc1)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3607 fenbufen O=C(O)CCC(=O)c2ccc(c1ccccc1)cc2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fenbufen&solvent=PEG400/water(50:50)vol FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3608 flufenamic acid FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=flufenamic+acid&solvent=PEG400/water(50:50)vol Fc2cc(ccc2c1ccccc1)C(C(=O)O)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3609 flurbiprofen Fc2cc(ccc2c1ccccc1)C(C(=O)O)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.022 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=flurbiprofen&solvent=PEG400/water(50:50)vol c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(=O)nc([nH]3)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3610 folic acid c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(=O)nc([nH]3)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=folic+acid&solvent=PEG400/water(50:50)vol O=C(OCC(O)CO)c1ccccc1Nc2c3ccc(Cl)cc3ncc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3611 glafenine O=C(OCC(O)CO)c1ccccc1Nc2c3ccc(Cl)cc3ncc2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=glafenine&solvent=PEG400/water(50:50)vol O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3612 griseofulvin O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.044 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=griseofulvin&solvent=PEG400/water(50:50)vol O(c1ccccc1OC)CC(O)CO.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3613 guaifenesin O(c1ccccc1OC)CC(O)CO PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.836 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=guaifenesin&solvent=PEG400/water(50:50)vol c1[nH]c2c(n1)c(=O)[nH]c(n2)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3614 guanine c1[nH]c2c(n1)c(=O)[nH]c(n2)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=guanine&solvent=PEG400/water(50:50)vol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3615 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=PEG400/water(50:50)vol O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3616 hydrochlorothiazide O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.108 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrochlorothiazide&solvent=PEG400/water(50:50)vol O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3617 hydrocortisone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrocortisone&solvent=PEG400/water(50:50)vol FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3618 hydroflumethiazide FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.043 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydroflumethiazide&solvent=PEG400/water(50:50)vol O=C(OC2CC1N(C)C(CC1)C2)[C@@H](c3ccccc3)CO.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3619 hyoscyamine O=C(OC2CC1N(C)C(CC1)C2)[C@@H](c3ccccc3)CO PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.048 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hyoscyamine&solvent=PEG400/water(50:50)vol CC(C)Cc1ccc(cc1)C(C)C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3620 ibuprofen CC(C)Cc1ccc(cc1)C(C)C(=O)O PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=PEG400/water(50:50)vol O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)NN3c2ccccc2CC3C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3621 indapamide O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)NN3c2ccccc2CC3C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=indapamide&solvent=PEG400/water(50:50)vol O=C(O)C(c1ccc(cc1)N3C(=O)c2ccccc2C3)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3622 indoprofen O=C(O)C(c1ccc(cc1)N3C(=O)c2ccccc2C3)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=indoprofen&solvent=PEG400/water(50:50)vol Ic1c(c(I)c(N)c(I)c1)CC(C(=O)O)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3623 iopanoic acid Ic1c(c(I)c(N)c(I)c1)CC(C(=O)O)CC PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=iopanoic+acid&solvent=PEG400/water(50:50)vol CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3624 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.061 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=PEG400/water(50:50)vol O=C/1c3c(O\C(=C\1)C)c(OC)c2occc2c3OC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3625 khellin O=C/1c3c(O\C(=C\1)C)c(OC)c2occc2c3OC PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=khellin&solvent=PEG400/water(50:50)vol Clc1ccc(NC(=O)N(OC)C)cc1Cl.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3626 linuron Clc1ccc(NC(=O)N(OC)C)cc1Cl PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=linuron&solvent=PEG400/water(50:50)vol O=C(O)c2c(Nc1cccc(c1C)C)cccc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3627 mefenamic acid O=C(O)c2c(Nc1cccc(c1C)C)cccc2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=mefenamic+acid&solvent=PEG400/water(50:50)vol O=C(OCC(O)COc1ccccc1OC)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3628 methocarbamol O=C(OCC(O)COc1ccccc1OC)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methocarbamol&solvent=PEG400/water(50:50)vol COC(=O)c1ccc(cc1)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3629 methylparaben COC(=O)c1ccc(cc1)O PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.445 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=PEG400/water(50:50)vol [O-][N+](=O)c1cnc(n1CCO)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3630 metronidazole [O-][N+](=O)c1cnc(n1CCO)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.088 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=metronidazole&solvent=PEG400/water(50:50)vol N\C1=C\C(=N/C(=N)N1O)N2CCCCC2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3631 minoxidil N\C1=C\C(=N/C(=N)N1O)N2CCCCC2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.051 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=minoxidil&solvent=PEG400/water(50:50)vol OC(CNC(C)(C)C)COc1cccc2c1C[C@H](O)[C@H](O)C2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3632 nadolol OC(CNC(C)(C)C)COc1cccc2c1C[C@H](O)[C@H](O)C2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.099 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nadolol&solvent=PEG400/water(50:50)vol O=C\2c1c(nc(cc1)C)N(/C=C/2C(=O)O)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3633 nalidixic acid O=C\2c1c(nc(cc1)C)N(/C=C/2C(=O)O)CC PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nalidixic+acid&solvent=PEG400/water(50:50)vol c1ccc2ccccc2c1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3634 naphthalene c1ccc2ccccc2c1 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=PEG400/water(50:50)vol O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3635 naproxen O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=PEG400/water(50:50)vol O=[N+]([O-])c2oc(/C=N/N1C(=O)NC(=O)C1)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3636 nitrofurantoin O=[N+]([O-])c2oc(/C=N/N1C(=O)NC(=O)C1)cc2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nitrofurantoin&solvent=PEG400/water(50:50)vol O=C4\C=C3/[C@@H]([C@H]2CC[C@]1([C@@H](CC[C@]1(C#C)O)[C@@H]2CC3)C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3637 norethisterone O=C4\C=C3/[C@@H]([C@H]2CC[C@]1([C@@H](CC[C@]1(C#C)O)[C@@H]2CC3)C)CC4 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=norethisterone&solvent=PEG400/water(50:50)vol O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3638 norfloxacin O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=norfloxacin&solvent=PEG400/water(50:50)vol O=C(O)c1ccc(cc1O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3639 p-aminosalicylic acid O=C(O)c1ccc(cc1O)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.279 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-aminosalicylic+acid&solvent=PEG400/water(50:50)vol Clc2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(CCO)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3640 perphenazine Clc2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(CCO)CC4 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=perphenazine&solvent=PEG400/water(50:50)vol O=C(Nc1ccc(OCC)cc1)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3641 phenacetin O=C(Nc1ccc(OCC)cc1)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.053 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=PEG400/water(50:50)vol O=C1OC(c2ccccc12)(c3ccc(O)cc3)c4ccc(O)cc4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3642 phenolphthalein O=C1OC(c2ccccc12)(c3ccc(O)cc3)c4ccc(O)cc4 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.044 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenolphthalein&solvent=PEG400/water(50:50)vol O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3643 phenylbutazone O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylbutazone&solvent=PEG400/water(50:50)vol O=C4N2C(c1c(cccc1)CC2)CN(C(=O)C3CCCCC3)C4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3644 praziquantel O=C4N2C(c1c(cccc1)CC2)CN(C(=O)C3CCCCC3)C4 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=praziquantel&solvent=PEG400/water(50:50)vol O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3645 prednisolone O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisolone&solvent=PEG400/water(50:50)vol O=C1NCNC(=O)C1(c2ccccc2)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3646 primidone O=C1NCNC(=O)C1(c2ccccc2)CC PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=primidone&solvent=PEG400/water(50:50)vol O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)C)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3647 progesterone O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)C)CC[C@H]3[C@@H]1CC2)C)(C)CC4 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=progesterone&solvent=PEG400/water(50:50)vol O=C(OCCC)c1ccc(O)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3648 propylparaben O=C(OCCC)c1ccc(O)cc1 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.191 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=propylparaben&solvent=PEG400/water(50:50)vol O=C(N)c1nccnc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3649 pyrazinamide O=C(N)c1nccnc1 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.302 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrazinamide&solvent=PEG400/water(50:50)vol O(c4cc1c(nccc1[C@H](O)[C@@H]2N3CC[C@@H](C2)[C@@H](/C=C)C3)cc4)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3650 quinidine O(c4cc1c(nccc1[C@H](O)[C@@H]2N3CC[C@@H](C2)[C@@H](/C=C)C3)cc4)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=quinidine&solvent=PEG400/water(50:50)vol COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@H]4CCN3C[C@@H]4C=C)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3651 quinine COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@H]4CCN3C[C@@H]4C=C)O PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.044 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=quinine&solvent=PEG400/water(50:50)vol O=C(c1ccccc1O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3652 salicylamide O=C(c1ccccc1O)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.404 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=PEG400/water(50:50)vol c1ccc(c(c1)C(=O)O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3653 salicylic acid c1ccc(c(c1)C(=O)O)O PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.423 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=PEG400/water(50:50)vol O=C5O[C@@]4([C@@]3([C@H]([C@@H]2[C@H](SC(=O)C)C/C1=C/C(=O)CC[C@]1(C)[C@H]2CC3)CC4)C)CC5.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3654 spironolactone O=C5O[C@@]4([C@@]3([C@H]([C@@H]2[C@H](SC(=O)C)C/C1=C/C(=O)CC[C@]1(C)[C@H]2CC3)CC4)C)CC5 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=spironolactone&solvent=PEG400/water(50:50)vol O=C7N2c1ccccc1C64C2C3C(OC/C=C5\C3CC6N(CC4)C5)C7.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3655 strychnine O=C7N2c1ccccc1C64C2C3C(OC/C=C5\C3CC6N(CC4)C5)C7 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=strychnine&solvent=PEG400/water(50:50)vol O=S(=O)(c1ccc(N)cc1)NC(=O)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3656 sulfacetamide O=S(=O)(c1ccc(N)cc1)NC(=O)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.614 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfacetamide&solvent=PEG400/water(50:50)vol O=S(=O)(Nc1ncccn1)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3657 sulfadiazine O=S(=O)(Nc1ncccn1)c2ccc(N)cc2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfadiazine&solvent=PEG400/water(50:50)vol O=S(=O)(Nc1nc(ccn1)C)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3658 sulfamerazine O=S(=O)(Nc1nc(ccn1)C)c2ccc(N)cc2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.022 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamerazine&solvent=PEG400/water(50:50)vol O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3659 sulfamethazine O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(N)cc2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethazine&solvent=PEG400/water(50:50)vol O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3660 sulfamethoxazole O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.142 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxazole&solvent=PEG400/water(50:50)vol O=S(=O)(c1ccc(N)cc1)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3661 sulfanilamide O=S(=O)(c1ccc(N)cc1)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.228 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfanilamide&solvent=PEG400/water(50:50)vol O=S(=O)(Nc1nccs1)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3662 sulfathiazole O=S(=O)(Nc1nccs1)c2ccc(N)cc2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.134 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfathiazole&solvent=PEG400/water(50:50)vol O=S(c1ccc(cc1)\C=C3/c2ccc(F)cc2\C(=C3C)CC(=O)O)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3663 sulindac O=S(c1ccc(cc1)\C=C3/c2ccc(F)cc2\C(=C3C)CC(=O)O)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulindac&solvent=PEG400/water(50:50)vol O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3664 sulpiride O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulpiride&solvent=PEG400/water(50:50)vol O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3665 tenoxicam O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tenoxicam&solvent=PEG400/water(50:50)vol OC(c1ccccc1)(c2ccccc2)C4CCN(CCCC(O)c3ccc(cc3)C(C)(C)C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3666 terfenadine OC(c1ccccc1)(c2ccccc2)C4CCN(CCCC(O)c3ccc(cc3)C(C)(C)C)CC4 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=terfenadine&solvent=PEG400/water(50:50)vol CCN(CC)C(=S)SSC(=S)N(CC)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3667 tetraethylthiuram disulfide CCN(CC)C(=S)SSC(=S)N(CC)CC PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraethylthiuram+disulfide&solvent=PEG400/water(50:50)vol Cn1cnc2c1c(=O)[nH]c(=O)n2C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3668 theobromine Cn1cnc2c1c(=O)[nH]c(=O)n2C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=theobromine&solvent=PEG400/water(50:50)vol Cn1c2c(c(=O)n(c1=O)C)[nH]cn2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3669 theophylline Cn1c2c(c(=O)n(c1=O)C)[nH]cn2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.049 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=theophylline&solvent=PEG400/water(50:50)vol ClC(Cl)C(=O)N[C@@H]([C@H](O)c1ccc(cc1)S(=O)(=O)C)CO.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3670 thiamphenicol ClC(Cl)C(=O)N[C@@H]([C@H](O)c1ccc(cc1)S(=O)(=O)C)CO PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.076 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiamphenicol&solvent=PEG400/water(50:50)vol Cc1c[nH]c(=O)[nH]c1=O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3671 thymine Cc1c[nH]c(=O)[nH]c1=O PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.038 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thymine&solvent=PEG400/water(50:50)vol O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3O)C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3672 triamcinolone O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3O)C)C PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triamcinolone&solvent=PEG400/water(50:50)vol n1c3c(nc(c1c2ccccc2)N)nc(nc3N)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3673 triamterene n1c3c(nc(c1c2ccccc2)N)nc(nc3N)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triamterene&solvent=PEG400/water(50:50)vol COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3674 trimethoprim COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.049 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trimethoprim&solvent=PEG400/water(50:50)vol c1c[nH]c(=O)[nH]c1=O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3675 uracil c1c[nH]c(=O)[nH]c1=O PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.029 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=uracil&solvent=PEG400/water(50:50)vol O=C1\C2=C(/NC(=O)N1)NC(=O)N2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3676 uric acid O=C1\C2=C(/NC(=O)N1)NC(=O)N2 PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=uric+acid&solvent=PEG400/water(50:50)vol c1[nH]c2c(n1)nc(nc2O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3677 xanthine c1[nH]c2c(n1)nc(nc2O)O PEG400/water(50:50)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthine&solvent=PEG400/water(50:50)vol Clc1cccc(Cl)c1Cl.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3678 1,2,3-trichlorobenzene Clc1cccc(Cl)c1Cl PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.069 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,3-trichlorobenzene&solvent=PEG400/water(75:25)vol c1ccc2cc(ccc2c1)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3679 2-naphthol c1ccc2cc(ccc2c1)O PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.933 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=PEG400/water(75:25)vol O=C(O)c1ccc(N)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3680 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=PEG400/water(75:25)vol O=C(O)c1cc(ccc1O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3681 5-aminosalicylic acid O=C(O)c1cc(ccc1O)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-aminosalicylic+acid&solvent=PEG400/water(75:25)vol FC=1\C=N/C(=O)NC=1N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3682 5-fluorocytosine FC=1\C=N/C(=O)NC=1N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluorocytosine&solvent=PEG400/water(75:25)vol c1c(c(=O)[nH]c(=O)[nH]1)F.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3683 5-fluorouracil c1c(c(=O)[nH]c(=O)[nH]1)F PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluorouracil&solvent=PEG400/water(75:25)vol O=C2NC(=O)NC2(c1ccccc1)c3ccccc3.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3684 5,5-diphenylhydantoin O=C2NC(=O)NC2(c1ccccc1)c3ccccc3 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.070 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5,5-diphenylhydantoin&solvent=PEG400/water(75:25)vol CC(=O)Nc1ccc(cc1)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3685 acetaminophen CC(=O)Nc1ccc(cc1)O PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 1.469 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=PEG400/water(75:25)vol O=S(=O)(c1nnc(s1)NC(=O)C)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3686 acetazolamide O=S(=O)(c1nnc(s1)NC(=O)C)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.079 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetazolamide&solvent=PEG400/water(75:25)vol c1[nH]c2c(ncnc2n1)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3687 adenine c1[nH]c2c(ncnc2n1)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.073 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adenine&solvent=PEG400/water(75:25)vol c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3688 adenosine c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.070 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adenosine&solvent=PEG400/water(75:25)vol c1c2c([nH]n1)ncnc2O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3689 allopurinol c1c2c([nH]n1)ncnc2O PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.063 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=allopurinol&solvent=PEG400/water(75:25)vol O=C2\C(=C(/N(N2c1ccccc1)C)C)N(C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3690 aminopyrine O=C2\C(=C(/N(N2c1ccccc1)C)C)N(C)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.234 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aminopyrine&solvent=PEG400/water(75:25)vol O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccccc1)N)[C@H]3SC2(C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3691 ampicillin O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccccc1)N)[C@H]3SC2(C)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ampicillin&solvent=PEG400/water(75:25)vol CC(=O)Oc1ccccc1C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3692 aspirin CC(=O)Oc1ccccc1C(=O)O PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.498 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aspirin&solvent=PEG400/water(75:25)vol CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3693 atropine CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.056 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=atropine&solvent=PEG400/water(75:25)vol [O-][N+](=O)c3ncn(c3Sc1ncnc2ncnc12)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3694 azathioprine [O-][N+](=O)c3ncn(c3Sc1ncnc2ncnc12)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=azathioprine&solvent=PEG400/water(75:25)vol Clc1ccc(cc1)C(CN)CC(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3695 baclofen Clc1ccc(cc1)C(CN)CC(=O)O PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=baclofen&solvent=PEG400/water(75:25)vol c1ccc(cc1)C(=O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3696 benzamide c1ccc(cc1)C(=O)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.408 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzamide&solvent=PEG400/water(75:25)vol O=C(OCC)c1ccc(N)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3697 benzocaine O=C(OCC)c1ccc(N)cc1 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.817 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=PEG400/water(75:25)vol c1ccc(cc1)C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3698 benzoic acid c1ccc(cc1)C(=O)O PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2.104 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=PEG400/water(75:25)vol c1ccc(cc1)c2ccccc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3699 biphenyl c1ccc(cc1)c2ccccc2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.078 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=PEG400/water(75:25)vol O=S(=O)(c2cc(cc(NCCCC)c2Oc1ccccc1)C(=O)O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3700 bumetanide O=S(=O)(c2cc(cc(NCCCC)c2Oc1ccccc1)C(=O)O)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.110 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=bumetanide&solvent=PEG400/water(75:25)vol O=C(OCCCC)c1ccc(N)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3701 butyl p-aminobenzoate O=C(OCCCC)c1ccc(N)cc1 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 1.875 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butyl+p-aminobenzoate&solvent=PEG400/water(75:25)vol O=C(OCCCC)c1ccc(O)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3702 butylparaben O=C(OCCCC)c1ccc(O)cc1 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2.541 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butylparaben&solvent=PEG400/water(75:25)vol Cn1cnc2c1c(=O)n(c(=O)n2C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3703 caffeine Cn1cnc2c1c(=O)n(c(=O)n2C)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.060 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caffeine&solvent=PEG400/water(75:25)vol c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3704 carbamazepine c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.184 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbamazepine&solvent=PEG400/water(75:25)vol O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)[C@@H](C/3=C/C\C=C/C\3)N)C)C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3705 cephradine O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)[C@@H](C/3=C/C\C=C/C\3)N)C)C(=O)O PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cephradine&solvent=PEG400/water(75:25)vol ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3706 chloramphenicol ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.427 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloramphenicol&solvent=PEG400/water(75:25)vol O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3707 chlorthalidone O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.151 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chlorthalidone&solvent=PEG400/water(75:25)vol Clc2cc1c(OC(=O)N1)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3708 chlorzoxazone Clc2cc1c(OC(=O)N1)cc2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.270 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chlorzoxazone&solvent=PEG400/water(75:25)vol N#CN\C(=N/C)NCCSCc1ncnc1C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3709 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.303 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=PEG400/water(75:25)vol Clc1ccc(cc1)NC=3/C(=N/C(C)C)/C=C2/N(c4c(\N=C2C=3)cccc4)c5ccc(Cl)cc5.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3710 clofazimine Clc1ccc(cc1)NC=3/C(=N/C(C)C)/C=C2/N(c4c(\N=C2C=3)cccc4)c5ccc(Cl)cc5 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=clofazimine&solvent=PEG400/water(75:25)vol O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3711 corticosterone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=corticosterone&solvent=PEG400/water(75:25)vol O=C(CO)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3712 cortisone O=C(CO)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cortisone&solvent=PEG400/water(75:25)vol c1cnc(=O)[nH]c1N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3713 cytosine c1cnc(=O)[nH]c1N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.077 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cytosine&solvent=PEG400/water(75:25)vol O=S(=O)(c1ccc(N)cc1)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3714 dapsone O=S(=O)(c1ccc(N)cc1)c2ccc(N)cc2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.678 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dapsone&solvent=PEG400/water(75:25)vol O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3715 deoxycorticosterone O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.041 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=deoxycorticosterone&solvent=PEG400/water(75:25)vol O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3C)C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3716 dexamethasone O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3C)C)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.042 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dexamethasone&solvent=PEG400/water(75:25)vol Ic1c(c(I)c(c(I)c1NC(=O)C)C(=O)O)NC(=O)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3717 diatrizoic acid Ic1c(c(I)c(c(I)c1NC(=O)C)C(=O)O)NC(=O)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diatrizoic+acid&solvent=PEG400/water(75:25)vol O=C(O)c1cc(ccc1O)c2ccc(F)cc2F.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3718 diflunisal O=C(O)c1cc(ccc1O)c2ccc(F)cc2F PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.062 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diflunisal&solvent=PEG400/water(75:25)vol OC2C/C1=C/CC5C(C1(C)CC2)CCC6(C4C(OC3(OCC(CC3)C)C4C)CC56)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3719 diosgenin OC2C/C1=C/CC5C(C1(C)CC2)CCC6(C4C(OC3(OCC(CC3)C)C4C)CC56)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diosgenin&solvent=PEG400/water(75:25)vol O=C(N)C(c1ncccc1)(c2ccccc2)CCN(C(C)C)C(C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3720 disopyramide O=C(N)C(c1ncccc1)(c2ccccc2)CCN(C(C)C)C(C)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.163 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=disopyramide&solvent=PEG400/water(75:25)vol Clc1ccc(NC(=O)N(C)C)cc1Cl.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3721 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=PEG400/water(75:25)vol O=C1CC2CCC1(C)C2(C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3722 DL-camphor O=C1CC2CCC1(C)C2(C)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.135 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=DL-camphor&solvent=PEG400/water(75:25)vol O=C3CC[C@H]4C/2=C/Cc1c(ccc(O)c1)[C@H]\2CC[C@]34C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3723 equilin O=C3CC[C@H]4C/2=C/Cc1c(ccc(O)c1)[C@H]\2CC[C@]34C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=equilin&solvent=PEG400/water(75:25)vol Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@H](O)CC[C@H]4[C@@H]2CC3)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3724 estradiol-17-alpha Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@H](O)CC[C@H]4[C@@H]2CC3)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estradiol-17-alpha&solvent=PEG400/water(75:25)vol Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](O)[C@H](O)C[C@H]4[C@@H]2CC3)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3725 estriol Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](O)[C@H](O)C[C@H]4[C@@H]2CC3)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.048 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estriol&solvent=PEG400/water(75:25)vol O=C4[C@]3(CC[C@@H]2c1ccc(O)cc1CC[C@H]2[C@@H]3CC4)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3726 estrone O=C4[C@]3(CC[C@@H]2c1ccc(O)cc1CC[C@H]2[C@@H]3CC4)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estrone&solvent=PEG400/water(75:25)vol O=C(OCC)c1ccc(O)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3727 ethylparaben O=C(OCC)c1ccc(O)cc1 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 1.824 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethylparaben&solvent=PEG400/water(75:25)vol Oc1cc4c(cc1)[C@H]3CC[C@]2([C@@H](CC[C@]2(C#C)O)[C@@H]3CC4)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3728 ethynylestradiol-17-alpha Oc1cc4c(cc1)[C@H]3CC[C@]2([C@@H](CC[C@]2(C#C)O)[C@@H]3CC4)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.080 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethynylestradiol-17-alpha&solvent=PEG400/water(75:25)vol O=C(O)CCC(=O)c2ccc(c1ccccc1)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3729 fenbufen O=C(O)CCC(=O)c2ccc(c1ccccc1)cc2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fenbufen&solvent=PEG400/water(75:25)vol FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3730 flufenamic acid FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.044 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=flufenamic+acid&solvent=PEG400/water(75:25)vol Fc2cc(ccc2c1ccccc1)C(C(=O)O)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3731 flurbiprofen Fc2cc(ccc2c1ccccc1)C(C(=O)O)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.711 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=flurbiprofen&solvent=PEG400/water(75:25)vol c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(=O)nc([nH]3)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3732 folic acid c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(=O)nc([nH]3)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=folic+acid&solvent=PEG400/water(75:25)vol O=C(OCC(O)CO)c1ccccc1Nc2c3ccc(Cl)cc3ncc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3733 glafenine O=C(OCC(O)CO)c1ccccc1Nc2c3ccc(Cl)cc3ncc2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=glafenine&solvent=PEG400/water(75:25)vol O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3734 griseofulvin O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.617 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=griseofulvin&solvent=PEG400/water(75:25)vol O(c1ccccc1OC)CC(O)CO.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3735 guaifenesin O(c1ccccc1OC)CC(O)CO PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.944 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=guaifenesin&solvent=PEG400/water(75:25)vol c1[nH]c2c(n1)c(=O)[nH]c(n2)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3736 guanine c1[nH]c2c(n1)c(=O)[nH]c(n2)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=guanine&solvent=PEG400/water(75:25)vol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3737 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=PEG400/water(75:25)vol O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3738 hydrochlorothiazide O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.218 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrochlorothiazide&solvent=PEG400/water(75:25)vol O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3739 hydrocortisone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.035 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrocortisone&solvent=PEG400/water(75:25)vol FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3740 hydroflumethiazide FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.047 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydroflumethiazide&solvent=PEG400/water(75:25)vol O=C(OC2CC1N(C)C(CC1)C2)[C@@H](c3ccccc3)CO.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3741 hyoscyamine O=C(OC2CC1N(C)C(CC1)C2)[C@@H](c3ccccc3)CO PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.066 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hyoscyamine&solvent=PEG400/water(75:25)vol CC(C)Cc1ccc(cc1)C(C)C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3742 ibuprofen CC(C)Cc1ccc(cc1)C(C)C(=O)O PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.548 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=PEG400/water(75:25)vol O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)NN3c2ccccc2CC3C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3743 indapamide O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)NN3c2ccccc2CC3C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.333 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=indapamide&solvent=PEG400/water(75:25)vol O=C(O)C(c1ccc(cc1)N3C(=O)c2ccccc2C3)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3744 indoprofen O=C(O)C(c1ccc(cc1)N3C(=O)c2ccccc2C3)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.028 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=indoprofen&solvent=PEG400/water(75:25)vol Ic1c(c(I)c(N)c(I)c1)CC(C(=O)O)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3745 iopanoic acid Ic1c(c(I)c(N)c(I)c1)CC(C(=O)O)CC PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.094 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=iopanoic+acid&solvent=PEG400/water(75:25)vol CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3746 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.855 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=PEG400/water(75:25)vol O=C/1c3c(O\C(=C\1)C)c(OC)c2occc2c3OC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3747 khellin O=C/1c3c(O\C(=C\1)C)c(OC)c2occc2c3OC PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=khellin&solvent=PEG400/water(75:25)vol Clc1ccc(NC(=O)N(OC)C)cc1Cl.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3748 linuron Clc1ccc(NC(=O)N(OC)C)cc1Cl PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=linuron&solvent=PEG400/water(75:25)vol O=C(O)c2c(Nc1cccc(c1C)C)cccc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3749 mefenamic acid O=C(O)c2c(Nc1cccc(c1C)C)cccc2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=mefenamic+acid&solvent=PEG400/water(75:25)vol O=C(OCC(O)COc1ccccc1OC)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3750 methocarbamol O=C(OCC(O)COc1ccccc1OC)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methocarbamol&solvent=PEG400/water(75:25)vol COC(=O)c1ccc(cc1)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3751 methylparaben COC(=O)c1ccc(cc1)O PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.637 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=PEG400/water(75:25)vol [O-][N+](=O)c1cnc(n1CCO)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3752 metronidazole [O-][N+](=O)c1cnc(n1CCO)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.098 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=metronidazole&solvent=PEG400/water(75:25)vol N\C1=C\C(=N/C(=N)N1O)N2CCCCC2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3753 minoxidil N\C1=C\C(=N/C(=N)N1O)N2CCCCC2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=minoxidil&solvent=PEG400/water(75:25)vol OC(CNC(C)(C)C)COc1cccc2c1C[C@H](O)[C@H](O)C2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3754 nadolol OC(CNC(C)(C)C)COc1cccc2c1C[C@H](O)[C@H](O)C2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.122 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nadolol&solvent=PEG400/water(75:25)vol O=C\2c1c(nc(cc1)C)N(/C=C/2C(=O)O)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3755 nalidixic acid O=C\2c1c(nc(cc1)C)N(/C=C/2C(=O)O)CC PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nalidixic+acid&solvent=PEG400/water(75:25)vol c1ccc2ccccc2c1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3756 naphthalene c1ccc2ccccc2c1 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.199 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=PEG400/water(75:25)vol O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3757 naproxen O=C(O)C(c1ccc2c(c1)ccc(OC)c2)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.269 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=PEG400/water(75:25)vol O=[N+]([O-])c2oc(/C=N/N1C(=O)NC(=O)C1)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3758 nitrofurantoin O=[N+]([O-])c2oc(/C=N/N1C(=O)NC(=O)C1)cc2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nitrofurantoin&solvent=PEG400/water(75:25)vol O=C4\C=C3/[C@@H]([C@H]2CC[C@]1([C@@H](CC[C@]1(C#C)O)[C@@H]2CC3)C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3759 norethisterone O=C4\C=C3/[C@@H]([C@H]2CC[C@]1([C@@H](CC[C@]1(C#C)O)[C@@H]2CC3)C)CC4 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=norethisterone&solvent=PEG400/water(75:25)vol O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3760 norfloxacin O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=norfloxacin&solvent=PEG400/water(75:25)vol O=C(O)c1ccc(cc1O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3761 p-aminosalicylic acid O=C(O)c1ccc(cc1O)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.893 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-aminosalicylic+acid&solvent=PEG400/water(75:25)vol Clc2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(CCO)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3762 perphenazine Clc2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(CCO)CC4 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=perphenazine&solvent=PEG400/water(75:25)vol O=C(Nc1ccc(OCC)cc1)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3763 phenacetin O=C(Nc1ccc(OCC)cc1)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.199 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=PEG400/water(75:25)vol O=C1OC(c2ccccc12)(c3ccc(O)cc3)c4ccc(O)cc4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3764 phenolphthalein O=C1OC(c2ccccc12)(c3ccc(O)cc3)c4ccc(O)cc4 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.081 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenolphthalein&solvent=PEG400/water(75:25)vol O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3765 phenylbutazone O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylbutazone&solvent=PEG400/water(75:25)vol O=C4N2C(c1c(cccc1)CC2)CN(C(=O)C3CCCCC3)C4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3766 praziquantel O=C4N2C(c1c(cccc1)CC2)CN(C(=O)C3CCCCC3)C4 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=praziquantel&solvent=PEG400/water(75:25)vol O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3767 prednisolone O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.066 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisolone&solvent=PEG400/water(75:25)vol O=C1NCNC(=O)C1(c2ccccc2)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3768 primidone O=C1NCNC(=O)C1(c2ccccc2)CC PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=primidone&solvent=PEG400/water(75:25)vol O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)C)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3769 progesterone O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)C)CC[C@H]3[C@@H]1CC2)C)(C)CC4 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=progesterone&solvent=PEG400/water(75:25)vol O=C(OCCC)c1ccc(O)cc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3770 propylparaben O=C(OCCC)c1ccc(O)cc1 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 1.074 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=propylparaben&solvent=PEG400/water(75:25)vol O=C(N)c1nccnc1.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3771 pyrazinamide O=C(N)c1nccnc1 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.286 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrazinamide&solvent=PEG400/water(75:25)vol O(c4cc1c(nccc1[C@H](O)[C@@H]2N3CC[C@@H](C2)[C@@H](/C=C)C3)cc4)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3772 quinidine O(c4cc1c(nccc1[C@H](O)[C@@H]2N3CC[C@@H](C2)[C@@H](/C=C)C3)cc4)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=quinidine&solvent=PEG400/water(75:25)vol COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@H]4CCN3C[C@@H]4C=C)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3773 quinine COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@H]4CCN3C[C@@H]4C=C)O PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.175 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=quinine&solvent=PEG400/water(75:25)vol O=C(c1ccccc1O)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3774 salicylamide O=C(c1ccccc1O)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 1.406 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=PEG400/water(75:25)vol c1ccc(c(c1)C(=O)O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3775 salicylic acid c1ccc(c(c1)C(=O)O)O PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2.094 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=PEG400/water(75:25)vol O=C5O[C@@]4([C@@]3([C@H]([C@@H]2[C@H](SC(=O)C)C/C1=C/C(=O)CC[C@]1(C)[C@H]2CC3)CC4)C)CC5.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3776 spironolactone O=C5O[C@@]4([C@@]3([C@H]([C@@H]2[C@H](SC(=O)C)C/C1=C/C(=O)CC[C@]1(C)[C@H]2CC3)CC4)C)CC5 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=spironolactone&solvent=PEG400/water(75:25)vol O=C7N2c1ccccc1C64C2C3C(OC/C=C5\C3CC6N(CC4)C5)C7.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3777 strychnine O=C7N2c1ccccc1C64C2C3C(OC/C=C5\C3CC6N(CC4)C5)C7 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=strychnine&solvent=PEG400/water(75:25)vol O=S(=O)(c1ccc(N)cc1)NC(=O)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3778 sulfacetamide O=S(=O)(c1ccc(N)cc1)NC(=O)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 1.466 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfacetamide&solvent=PEG400/water(75:25)vol O=S(=O)(Nc1ncccn1)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3779 sulfadiazine O=S(=O)(Nc1ncccn1)c2ccc(N)cc2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.040 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfadiazine&solvent=PEG400/water(75:25)vol O=S(=O)(Nc1nc(ccn1)C)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3780 sulfamerazine O=S(=O)(Nc1nc(ccn1)C)c2ccc(N)cc2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.047 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamerazine&solvent=PEG400/water(75:25)vol O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3781 sulfamethazine O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(N)cc2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.041 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethazine&solvent=PEG400/water(75:25)vol O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3782 sulfamethoxazole O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.793 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxazole&solvent=PEG400/water(75:25)vol O=S(=O)(c1ccc(N)cc1)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3783 sulfanilamide O=S(=O)(c1ccc(N)cc1)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.173 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfanilamide&solvent=PEG400/water(75:25)vol O=S(=O)(Nc1nccs1)c2ccc(N)cc2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3784 sulfathiazole O=S(=O)(Nc1nccs1)c2ccc(N)cc2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.632 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfathiazole&solvent=PEG400/water(75:25)vol O=S(c1ccc(cc1)\C=C3/c2ccc(F)cc2\C(=C3C)CC(=O)O)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3785 sulindac O=S(c1ccc(cc1)\C=C3/c2ccc(F)cc2\C(=C3C)CC(=O)O)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulindac&solvent=PEG400/water(75:25)vol O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3786 sulpiride O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulpiride&solvent=PEG400/water(75:25)vol O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3787 tenoxicam O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tenoxicam&solvent=PEG400/water(75:25)vol OC(c1ccccc1)(c2ccccc2)C4CCN(CCCC(O)c3ccc(cc3)C(C)(C)C)CC4.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3788 terfenadine OC(c1ccccc1)(c2ccccc2)C4CCN(CCCC(O)c3ccc(cc3)C(C)(C)C)CC4 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=terfenadine&solvent=PEG400/water(75:25)vol CCN(CC)C(=S)SSC(=S)N(CC)CC.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3789 tetraethylthiuram disulfide CCN(CC)C(=S)SSC(=S)N(CC)CC PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraethylthiuram+disulfide&solvent=PEG400/water(75:25)vol Cn1cnc2c1c(=O)[nH]c(=O)n2C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3790 theobromine Cn1cnc2c1c(=O)[nH]c(=O)n2C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=theobromine&solvent=PEG400/water(75:25)vol Cn1c2c(c(=O)n(c1=O)C)[nH]cn2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3791 theophylline Cn1c2c(c(=O)n(c1=O)C)[nH]cn2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.055 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=theophylline&solvent=PEG400/water(75:25)vol ClC(Cl)C(=O)N[C@@H]([C@H](O)c1ccc(cc1)S(=O)(=O)C)CO.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3792 thiamphenicol ClC(Cl)C(=O)N[C@@H]([C@H](O)c1ccc(cc1)S(=O)(=O)C)CO PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.284 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiamphenicol&solvent=PEG400/water(75:25)vol Cc1c[nH]c(=O)[nH]c1=O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3793 thymine Cc1c[nH]c(=O)[nH]c1=O PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.054 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thymine&solvent=PEG400/water(75:25)vol O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3O)C)C.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3794 triamcinolone O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3O)C)C PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triamcinolone&solvent=PEG400/water(75:25)vol n1c3c(nc(c1c2ccccc2)N)nc(nc3N)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3795 triamterene n1c3c(nc(c1c2ccccc2)N)nc(nc3N)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triamterene&solvent=PEG400/water(75:25)vol COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3796 trimethoprim COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.056 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trimethoprim&solvent=PEG400/water(75:25)vol c1c[nH]c(=O)[nH]c1=O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3797 uracil c1c[nH]c(=O)[nH]c1=O PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.033 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=uracil&solvent=PEG400/water(75:25)vol O=C1\C2=C(/NC(=O)N1)NC(=O)N2.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3798 uric acid O=C1\C2=C(/NC(=O)N1)NC(=O)N2 PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=uric+acid&solvent=PEG400/water(75:25)vol c1[nH]c2c(n1)nc(nc2O)O.O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 2012-05-16T19:28:46Z 3799 xanthine c1[nH]c2c(n1)nc(nc2O)O PEG400/water(75:25)vol O(CCOCCOCCO)CCOCCOCCOCCOCCOCCO.O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthine&solvent=PEG400/water(75:25)vol O=C(O)C=Cc1ccccc1.ClC(Cl)C(Cl)(Cl)Cl 2012-05-16T19:28:46Z 3800 cinnamic acid O=C(O)C=Cc1ccccc1 pentachloroethane ClC(Cl)C(Cl)(Cl)Cl 0.374 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=pentachloroethane c1ccc2cc(ccc2c1)O.CCCCC 2012-05-16T19:28:46Z 3801 2-naphthol c1ccc2cc(ccc2c1)O pentane CCCCC 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=pentane O=C(O)c1ccccc1.CCCCC 2012-05-16T19:28:46Z 3802 benzoic acid O=C(O)c1ccccc1 pentane CCCCC 0.053 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=pentane COC(=O)c1ccc(cc1)O.CCCCC 2012-05-16T19:28:46Z 3803 methylparaben COC(=O)c1ccc(cc1)O pentane CCCCC 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=pentane O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3804 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O pentyl acetate O=C(OCCCCC)C 0.430 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=pentyl+acetate O=C(O)c1ccccc1OC.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3805 2-methoxybenzoic acid O=C(O)c1ccccc1OC pentyl acetate O=C(OCCCCC)C 0.260 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=pentyl+acetate O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3806 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O pentyl acetate O=C(OCCCCC)C 0.171 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=pentyl+acetate O=C(O)c1ccccc1C.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3807 2-methylbenzoic acid O=C(O)c1ccccc1C pentyl acetate O=C(OCCCCC)C 1.040 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=pentyl+acetate O=C(O)c1cc(Cl)ccc1.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3808 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 pentyl acetate O=C(OCCCCC)C 0.435 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=pentyl+acetate O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3809 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O pentyl acetate O=C(OCCCCC)C 0.210 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=pentyl+acetate O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3810 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O pentyl acetate O=C(OCCCCC)C 0.160 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=pentyl+acetate COc1ccc(cc1)C(O)=O.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3811 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O pentyl acetate O=C(OCCCCC)C 0.060 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=pentyl+acetate O=[N+]([O-])c1ccc(C(=O)O)cc1.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3812 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 pentyl acetate O=C(OCCCCC)C 0.050 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=pentyl+acetate O=C(Oc1ccccc1C(=O)O)C.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3813 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C pentyl acetate O=C(OCCCCC)C 0.182 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=pentyl+acetate c1ccc2cc3ccccc3cc2c1.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3814 anthracene c1ccc2cc3ccccc3cc2c1 pentyl acetate O=C(OCCCCC)C 0.051 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=pentyl+acetate O=C(O)c1ccccc1.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3815 benzoic acid O=C(O)c1ccccc1 pentyl acetate O=C(OCCCCC)C 1.690 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=pentyl+acetate c1ccc(cc1)C(C(=O)c2ccccc2)O.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3816 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O pentyl acetate O=C(OCCCCC)C 0.069 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=pentyl+acetate O=C2c1ccccc1C(=O)c3c2cccc3Cl.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3817 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl pentyl acetate O=C(OCCCCC)C 0.044 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=pentyl+acetate O=C1c3c(Sc2c1cccc2)cccc3.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3818 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 pentyl acetate O=C(OCCCCC)C 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=pentyl+acetate O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.c1ccc(cc1)CCO 2012-05-16T19:28:46Z 3819 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 phenylethyl alcohol c1ccc(cc1)CCO 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=phenylethyl+alcohol [O-][N+](=O)c2cccc1ccccc12.CCC#N 2012-05-16T19:28:46Z 3820 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 propionitrile CCC#N 3.896 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=propionitrile O=C3c1ccccc1c2c3cccc2.N#CCC 2012-05-16T19:28:46Z 3821 9-fluorenone O=C3c1ccccc1c2c3cccc2 propionitrile N#CCC 1.990 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=propionitrile c1cc2cccc3c2c(c1)CC3.N#CCC 2012-05-16T19:28:46Z 3822 acenaphthene c1cc2cccc3c2c(c1)CC3 propionitrile N#CCC 0.817 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=propionitrile c1ccc2cc3ccccc3cc2c1.N#CCC 2012-05-16T19:28:46Z 3823 anthracene c1ccc2cc3ccccc3cc2c1 propionitrile N#CCC 0.040 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=propionitrile c1ccc(cc1)C(=O)C(=O)c2ccccc2.N#CCC 2012-05-16T19:28:46Z 3824 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 propionitrile N#CCC 1.510 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=propionitrile c1c(c(cc(c1C)C)C)C.CCC#N 2012-05-16T19:28:46Z 3825 durene c1c(c(cc(c1C)C)C)C propionitrile CCC#N 1.034 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=propionitrile c1ccc-2c(c1)Cc3c2cccc3.CCC#N 2012-05-16T19:28:46Z 3826 fluorene c1ccc-2c(c1)Cc3c2cccc3 propionitrile CCC#N 0.767 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=propionitrile c1cc2ccc3cccc4c3c2c(c1)cc4.N#CCC 2012-05-16T19:28:46Z 3827 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 propionitrile N#CCC 0.348 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=propionitrile O=C1c3c(Sc2c1cccc2)cccc3.N#CCC 2012-05-16T19:28:46Z 3828 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 propionitrile N#CCC 0.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=propionitrile O=C2c1ccccc1C(=O)c3c2cccc3Cl.N#CCC 2012-05-16T19:28:46Z 3829 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl proprionitrile N#CCC 0.049 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=proprionitrile c1ccc2c(c1)Nc3ccccc3S2.CCC#N 2012-05-16T19:28:46Z 3830 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 proprionitrile CCC#N 0.517 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=proprionitrile O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.O=C(OCCC)C 2012-05-16T19:28:46Z 3831 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O propyl acetate O=C(OCCC)C 0.254 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=propyl+acetate O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.O=C(OCCC)C 2012-05-16T19:28:46Z 3832 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O propyl acetate O=C(OCCC)C 0.260 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=propyl+acetate c1ccc2cc3ccccc3cc2c1.O=C(OCCC)C 2012-05-16T19:28:46Z 3833 anthracene c1ccc2cc3ccccc3cc2c1 propyl acetate O=C(OCCC)C 0.051 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=propyl+acetate c1ccc(cc1)C(C(=O)c2ccccc2)O.O=C(OCCC)C 2012-05-16T19:28:46Z 3834 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O propyl acetate O=C(OCCC)C 0.097 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=propyl+acetate O=C2c1ccccc1C(=O)c3c2cccc3Cl.O=C(OCCC)C 2012-05-16T19:28:46Z 3835 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl propyl acetate O=C(OCCC)C 0.059 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=propyl+acetate O=C(O)C=Cc1ccccc1.O=C(OCCC)C 2012-05-16T19:28:46Z 3836 cinnamic acid O=C(O)C=Cc1ccccc1 propyl acetate O=C(OCCC)C 0.619 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=propyl+acetate O=C(O)c1cccc(C(=O)O)c1.O=C(OCCC)C 2012-05-16T19:28:46Z 3837 isophthalic acid O=C(O)c1cccc(C(=O)O)c1 propyl acetate O=C(OCCC)C 0.006 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isophthalic+acid&solvent=propyl+acetate O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC.O=C(OCCC)C 2012-05-16T19:28:46Z 3838 lovastatin O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC propyl acetate O=C(OCCC)C 0.053 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lovastatin&solvent=propyl+acetate COC(=O)c1ccc(cc1)O.O=C(OCCC)C 2012-05-16T19:28:46Z 3839 methylparaben COC(=O)c1ccc(cc1)O propyl acetate O=C(OCCC)C 1.178 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=propyl+acetate O=C(c1ccccc1O)N.O=C(OCCC)C 2012-05-16T19:28:46Z 3840 salicylamide O=C(c1ccccc1O)N propyl acetate O=C(OCCC)C 0.574 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=propyl+acetate O=C(O)c1ccccc1OC.O=C1OCC(O1)C 2012-05-16T19:28:46Z 3841 2-methoxybenzoic acid O=C(O)c1ccccc1OC propylene carbonate O=C1OCC(O1)C 0.990 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=propylene+carbonate O=C(O)c1ccccc1C.O=C1OCC(O1)C 2012-05-16T19:28:46Z 3842 2-methylbenzoic acid O=C(O)c1ccccc1C propylene carbonate O=C1OCC(O1)C 0.460 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=propylene+carbonate O=C(O)c1cc(ccc1)C.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3843 3-methylbenzoic acid O=C(O)c1cc(ccc1)C propylene carbonate O=C(OCCCCC)C 0.440 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=propylene+carbonate O=[N+]([O-])c1cc(C(=O)O)ccc1.CC1COC(=O)O1 2012-05-16T19:28:46Z 3844 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 propylene carbonate CC1COC(=O)O1 0.933 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=propylene+carbonate O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.O=C1OCC(O1)C 2012-05-16T19:28:46Z 3845 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O propylene carbonate O=C1OCC(O1)C 0.150 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=propylene+carbonate O=C(O)c1ccc(Cl)cc1.O=C(OCCCCC)C 2012-05-16T19:28:46Z 3846 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 propylene carbonate O=C(OCCCCC)C 0.037 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=propylene+carbonate O=[N+]([O-])c1ccc(C(=O)O)cc1.O=C1OCC(O1)C 2012-05-16T19:28:46Z 3847 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 propylene carbonate O=C1OCC(O1)C 0.060 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=propylene+carbonate O=C(Oc1ccccc1C(=O)O)C.OC(=O)OCC(C)OC(=O)[O-] 2012-05-16T19:28:46Z 3848 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C propylene carbonate OC(=O)OCC(C)OC(=O)[O-] 0.231 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=propylene+carbonate c1ccc2cc3ccccc3cc2c1.CC1COC(=O)O1 2012-05-16T19:28:46Z 3849 anthracene c1ccc2cc3ccccc3cc2c1 propylene carbonate CC1COC(=O)O1 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=propylene+carbonate c1ccc(cc1)C(=O)C(=O)c2ccccc2.CC1COC(=O)O1 2012-05-16T19:28:46Z 3850 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 propylene carbonate CC1COC(=O)O1 0.980 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=propylene+carbonate c1ccc(cc1)c2ccccc2.CC1COC(=O)O1 2012-05-16T19:28:46Z 3851 biphenyl c1ccc(cc1)c2ccccc2 propylene carbonate CC1COC(=O)O1 1.355 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=propylene+carbonate O=S(=O)(c1ccccc1)c2ccccc2.CC1COC(=O)O1 2012-05-16T19:28:46Z 3852 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 propylene carbonate CC1COC(=O)O1 0.813 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=propylene+carbonate Clc1ccc(NC(=O)N(C)C)cc1Cl.CC1COC(=O)O1 2012-05-16T19:28:46Z 3853 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl propylene carbonate CC1COC(=O)O1 0.097 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=propylene+carbonate Clc1ccc(NC(=O)N(C)C)cc1.CC1COC(=O)O1 2012-05-16T19:28:46Z 3854 monuron Clc1ccc(NC(=O)N(C)C)cc1 propylene carbonate CC1COC(=O)O1 0.144 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=propylene+carbonate c1cc2ccc3cccc4c3c2c(c1)cc4.CC1COC(=O)O1 2012-05-16T19:28:46Z 3855 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 propylene carbonate CC1COC(=O)O1 0.209 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=propylene+carbonate c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.CC1COC(=O)O1 2012-05-16T19:28:46Z 3856 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 propylene carbonate CC1COC(=O)O1 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=propylene+carbonate n1cnnc1.CC(O)CO 2012-05-16T19:28:46Z 3857 1,2,4-triazole n1cnnc1 propylene glycol CC(O)CO 4.173 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,4-triazole&solvent=propylene+glycol O=C(O)c1ccc(O)cc1.CC(O)CO 2012-05-16T19:28:46Z 3858 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 propylene glycol CC(O)CO 1.100 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=propylene+glycol N#CN\C(=N/C)NCCSCc1ncnc1C.CC(O)CO 2012-05-16T19:28:46Z 3859 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C propylene glycol CC(O)CO 0.354 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=propylene+glycol [O-][N+](=O)c3cc\1c(NC(=O)C/N=C/1c2ccccc2Cl)cc3.CC(O)CO 2012-05-16T19:28:46Z 3860 clonazepam [O-][N+](=O)c3cc\1c(NC(=O)C/N=C/1c2ccccc2Cl)cc3 propylene glycol CC(O)CO 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=clonazepam&solvent=propylene+glycol CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl.CC(O)CO 2012-05-16T19:28:46Z 3861 diazepam CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)Cl propylene glycol CC(O)CO 0.043 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diazepam&solvent=propylene+glycol O=C(OC)\C=C\C(=O)OC.CC(O)CO 2012-05-16T19:28:46Z 3862 dimethyl fumarate O=C(OC)\C=C\C(=O)OC propylene glycol CC(O)CO 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dimethyl+fumarate&solvent=propylene+glycol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.CC(CO)O 2012-05-16T19:28:46Z 3863 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F propylene glycol CC(CO)O 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=propylene+glycol c1cnccc1C(=O)O.CC(CO)O 2012-05-16T19:28:46Z 3864 isonicotinic acid c1cnccc1C(=O)O propylene glycol CC(CO)O 0.009 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=isonicotinic+acid&solvent=propylene+glycol CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.CC(O)CO 2012-05-16T19:28:46Z 3865 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O propylene glycol CC(O)CO 0.184 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=propylene+glycol Clc2c(Cl)c(c1nnc(nc1N)N)ccc2.CC(O)CO 2012-05-16T19:28:46Z 3866 lamotrigine Clc2c(Cl)c(c1nnc(nc1N)N)ccc2 propylene glycol CC(O)CO 0.204 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lamotrigine&solvent=propylene+glycol O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.CC(CO)O 2012-05-16T19:28:46Z 3867 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C propylene glycol CC(CO)O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=propylene+glycol COC(=O)c1ccc(cc1)O.CC(O)CO 2012-05-16T19:28:46Z 3868 methylparaben COC(=O)c1ccc(cc1)O propylene glycol CC(O)CO 1.201 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=propylene+glycol FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.CC(O)CO 2012-05-16T19:28:46Z 3869 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O propylene glycol CC(O)CO 0.104 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=propylene+glycol O=C1NC(=O)NC(=O)C1(c2ccccc2)CC.CC(O)CO 2012-05-16T19:28:46Z 3870 phenobarbital O=C1NC(=O)NC(=O)C1(c2ccccc2)CC propylene glycol CC(O)CO 0.642 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenobarbital&solvent=propylene+glycol c1ccc2c(c1)Nc3ccccc3S2.CC(O)CO 2012-05-16T19:28:46Z 3871 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 propylene glycol CC(O)CO 0.058 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=propylene+glycol Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5.CC(O)CO 2012-05-16T19:28:46Z 3872 pimozide Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5 propylene glycol CC(O)CO 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimozide&solvent=propylene+glycol c1ccc(c(c1)C(=O)O)O.CC(CO)O 2012-05-16T19:28:46Z 3873 salicylic acid c1ccc(c(c1)C(=O)O)O propylene glycol CC(CO)O 1.592 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=propylene+glycol O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.CC(CO)O 2012-05-16T19:28:46Z 3874 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 propylene glycol CC(CO)O 0.072 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=propylene+glycol O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C.CC(CO)O 2012-05-16T19:28:46Z 3875 tenoxicam O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C propylene glycol CC(CO)O 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tenoxicam&solvent=propylene+glycol O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.c1ccncc1 2012-05-16T19:28:46Z 3876 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 pyridine c1ccncc1 0.120 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=pyridine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.c1ccncc1 2012-05-16T19:28:46Z 3877 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 pyridine c1ccncc1 0.274 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=pyridine C(=S)(N)N.c1ccncc1 2012-05-16T19:28:46Z 3878 thiourea C(=S)(N)N pyridine c1ccncc1 1.609 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiourea&solvent=pyridine O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC.O=C(OC(C)CC)C 2012-05-16T19:28:46Z 3879 lovastatin O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC sec-butyl acetate O=C(OC(C)CC)C 0.043 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lovastatin&solvent=sec-butyl+acetate c1cc2cccc3c2c(c1)CC3.C(CCCC(CCCC(C)CCCC(C)C)C)C(C)CCCC(C)CCCC(C)C 2012-05-16T19:28:46Z 3880 acenaphthene c1cc2cccc3c2c(c1)CC3 squalane C(CCCC(CCCC(C)CCCC(C)C)C)C(C)CCCC(C)CCCC(C)C 0.304 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=squalane O=S(=O)(c1ccccc1)c2ccccc2.C(CCCC(CCCC(C)CCCC(C)C)C)C(C)CCCC(C)CCCC(C)C 2012-05-16T19:28:46Z 3881 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 squalane C(CCCC(CCCC(C)CCCC(C)C)C)C(C)CCCC(C)CCCC(C)C 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=squalane c1cc2ccc3cccc4c3c2c(c1)cc4.C(CCCC(CCCC(C)CCCC(C)C)C)C(C)CCCC(C)CCCC(C)C 2012-05-16T19:28:46Z 3882 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 squalane C(CCCC(CCCC(C)CCCC(C)C)C)C(C)CCCC(C)CCCC(C)C 0.074 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=squalane c1ccc(c(c1)C(=O)O)N.C1CCS(=O)(=O)C1 2012-05-16T19:28:46Z 3883 2-aminobenzoic acid c1ccc(c(c1)C(=O)O)N sulfolane C1CCS(=O)(=O)C1 1.559 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-aminobenzoic+acid&solvent=sulfolane O=C(O)c1ccccc1Cl.C1CCS(=O)(=O)C1 2012-05-16T19:28:46Z 3884 2-chlorobenzoic acid O=C(O)c1ccccc1Cl sulfolane C1CCS(=O)(=O)C1 1.638 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chlorobenzoic+acid&solvent=sulfolane O=C(O)c1ccccc1C.C1CCS(=O)(=O)C1 2012-05-16T19:28:46Z 3885 2-methylbenzoic acid O=C(O)c1ccccc1C sulfolane C1CCS(=O)(=O)C1 1.433 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=sulfolane c1ccc(c(c1)C(=O)O)[N+](=O)[O-].C1CCS(=O)(=O)C1 2012-05-16T19:28:46Z 3886 2-nitrobenzoic acid c1ccc(c(c1)C(=O)O)[N+](=O)[O-] sulfolane C1CCS(=O)(=O)C1 2.034 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-nitrobenzoic+acid&solvent=sulfolane O=C(O)c1cc(ccc1)C.C1CCS(=O)(=O)C1 2012-05-16T19:28:46Z 3887 3-methylbenzoic acid O=C(O)c1cc(ccc1)C sulfolane C1CCS(=O)(=O)C1 1.333 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=sulfolane O=C(O)c1ccc(N)cc1.C1CCS(=O)(=O)C1 2012-05-16T19:28:46Z 3888 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 sulfolane C1CCS(=O)(=O)C1 1.426 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=sulfolane O=C(O)c1ccc(Cl)cc1.C1CCS(=O)(=O)C1 2012-05-16T19:28:46Z 3889 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 sulfolane C1CCS(=O)(=O)C1 0.145 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=sulfolane Cc1ccc(cc1)C(=O)O.C1CCS(=O)(=O)C1 2012-05-16T19:28:46Z 3890 4-methylbenzoic acid Cc1ccc(cc1)C(=O)O sulfolane C1CCS(=O)(=O)C1 0.979 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methylbenzoic+acid&solvent=sulfolane O=[N+]([O-])c1ccc(C(=O)O)cc1.C1CCS(=O)(=O)C1 2012-05-16T19:28:46Z 3891 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 sulfolane C1CCS(=O)(=O)C1 0.571 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=sulfolane c1ccc(cc1)C(=O)O.C1CCS(=O)(=O)C1 2012-05-16T19:28:46Z 3892 benzoic acid c1ccc(cc1)C(=O)O sulfolane C1CCS(=O)(=O)C1 2.005 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=sulfolane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.C1CCS(=O)(=O)C1 2012-05-16T19:28:46Z 3893 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 sulfolane C1CCS(=O)(=O)C1 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=sulfolane O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC.O=C(OC(C)(C)C)C 2012-05-16T19:28:46Z 3894 lovastatin O=C(O[C@@H]1[C@H]3C(=C/[C@H](C)C1)\C=C/[C@@H]([C@@H]3CC[C@H]2OC(=O)C[C@H](O)C2)C)[C@@H](C)CC tert-butyl acetate O=C(OC(C)(C)C)C 0.033 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lovastatin&solvent=tert-butyl+acetate [O-][N+](=O)c2cccc1ccccc12.CC(C)(C)C1CCCCC1 2012-05-16T19:28:46Z 3895 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 tert-butylcyclohexane CC(C)(C)C1CCCCC1 0.177 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=tert-butylcyclohexane c1c[n+](ccc1[N+](=O)[O-])[O-].CC(C)(C)C1CCCCC1 2012-05-16T19:28:46Z 3896 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] tert-butylcyclohexane CC(C)(C)C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=tert-butylcyclohexane O=C3c1ccccc1c2c3cccc2.CC(C)(C)C1CCCCC1 2012-05-16T19:28:46Z 3897 9-fluorenone O=C3c1ccccc1c2c3cccc2 tert-butylcyclohexane CC(C)(C)C1CCCCC1 0.120 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=tert-butylcyclohexane c1cc2cccc3c2c(c1)CC3.CC(C)(C)C1CCCCC1 2012-05-16T19:28:46Z 3898 acenaphthene c1cc2cccc3c2c(c1)CC3 tert-butylcyclohexane CC(C)(C)C1CCCCC1 0.458 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=tert-butylcyclohexane c1ccc(cc1)c2ccccc2.CC(C)(C)C1CCCCC1 2012-05-16T19:28:46Z 3899 biphenyl c1ccc(cc1)c2ccccc2 tert-butylcyclohexane CC(C)(C)C1CCCCC1 1.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=tert-butylcyclohexane O=S(=O)(c1ccccc1)c2ccccc2.CC(C)(C)C1CCCCC1 2012-05-16T19:28:46Z 3900 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 tert-butylcyclohexane CC(C)(C)C1CCCCC1 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=tert-butylcyclohexane Clc1ccc(NC(=O)N(C)C)cc1Cl.CC(C)(C)C1CCCCC1 2012-05-16T19:28:46Z 3901 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl tert-butylcyclohexane CC(C)(C)C1CCCCC1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=tert-butylcyclohexane c1c(c(cc(c1C)C)C)C.CC(C)(C)C1CCCCC1 2012-05-16T19:28:46Z 3902 durene c1c(c(cc(c1C)C)C)C tert-butylcyclohexane CC(C)(C)C1CCCCC1 1.363 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=tert-butylcyclohexane c1ccc-2c(c1)-c3cccc4c3c2ccc4.CC(C)(C)C1CCCCC1 2012-05-16T19:28:46Z 3903 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 tert-butylcyclohexane CC(C)(C)C1CCCCC1 0.144 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=tert-butylcyclohexane c1ccc-2c(c1)Cc3c2cccc3.CC(C)(C)C1CCCCC1 2012-05-16T19:28:46Z 3904 fluorene c1ccc-2c(c1)Cc3c2cccc3 tert-butylcyclohexane CC(C)(C)C1CCCCC1 0.256 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=tert-butylcyclohexane c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.CC(C)(C)C1CCCCC1 2012-05-16T19:28:46Z 3905 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl tert-butylcyclohexane CC(C)(C)C1CCCCC1 0.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=tert-butylcyclohexane c1ccc2c(c1)ccc3c2cccc3.CC(C)(C)C1CCCCC1 2012-05-16T19:28:46Z 3906 phenanthrene c1ccc2c(c1)ccc3c2cccc3 tert-butylcyclohexane CC(C)(C)C1CCCCC1 0.298 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=tert-butylcyclohexane S1c3c(Sc2c1cccc2)cccc3.CC(C)(C)C1CCCCC1 2012-05-16T19:28:46Z 3907 thianthrene S1c3c(Sc2c1cccc2)cccc3 tert-butylcyclohexane CC(C)(C)C1CCCCC1 0.038 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=tert-butylcyclohexane O=C1c3c(Sc2c1cccc2)cccc3.CC(C)(C)C1CCCCC1 2012-05-16T19:28:46Z 3908 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 tert-butylcyclohexane CC(C)(C)C1CCCCC1 0.004 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=tert-butylcyclohexane c1ccc(cc1)/C=C/c2ccccc2.CC(C)(C)C1CCCCC1 2012-05-16T19:28:46Z 3909 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 tert-butylcyclohexane CC(C)(C)C1CCCCC1 0.091 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=tert-butylcyclohexane O=C(O)C=Cc1ccccc1.ClCC(Cl)(Cl)Cl 2012-05-16T19:28:46Z 3910 cinnamic acid O=C(O)C=Cc1ccccc1 tetrachloroethane ClCC(Cl)(Cl)Cl 0.746 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=tetrachloroethane c1cc2cccc3c2c(c1)CC3.Cl/C(Cl)=C(/Cl)Cl 2012-05-16T19:28:46Z 3911 acenaphthene c1cc2cccc3c2c(c1)CC3 tetrachloroethylene Cl/C(Cl)=C(/Cl)Cl 1.378 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=tetrachloroethylene O=C(O)C=Cc1ccccc1.Cl/C(Cl)=C(/Cl)Cl 2012-05-16T19:28:46Z 3912 cinnamic acid O=C(O)C=Cc1ccccc1 tetrachloroethylene Cl/C(Cl)=C(/Cl)Cl 0.172 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=tetrachloroethylene c1ccc2ccccc2c1.Cl/C(Cl)=C(/Cl)Cl 2012-05-16T19:28:46Z 3913 naphthalene c1ccc2ccccc2c1 tetrachloroethylene Cl/C(Cl)=C(/Cl)Cl 2.453 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=tetrachloroethylene ClC1=CC=C(C=C1)C=NC2=CC=CC=C2.O1CCCC1 2012-05-16T19:28:46Z 3914 (E)-1-(4-Chlorophenyl)-N-phenylmethanimine ClC1=CC=C(C=C1)C=NC2=CC=CC=C2 Tetrahydrofuran O1CCCC1 3.149 http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=(E)-1-(4-Chlorophenyl)-N-phenylmethanimine&solvent=Tetrahydrofuran c1ccc2cc3ccccc3cc2c1.O1CCCCC1 2012-05-16T19:28:46Z 3915 anthracene c1ccc2cc3ccccc3cc2c1 tetrahydropyran O1CCCCC1 0.104 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=tetrahydropyran c1ccc2c(c1)c3ccccc3[nH]2.O1CCCCC1 2012-05-16T19:28:46Z 3916 carbazole c1ccc2c(c1)c3ccccc3[nH]2 tetrahydropyran O1CCCCC1 0.432 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbazole&solvent=tetrahydropyran O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2.O1CCCCC1 2012-05-16T19:28:46Z 3917 sulpiride O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2 tetrahydropyran O1CCCCC1 0.022 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulpiride&solvent=tetrahydropyran NCCCCCCCCCCCCCCCCCC.O1CCCC1 2012-05-16T19:28:46Z 3918 1-octadecylamine NCCCCCCCCCCCCCCCCCC THF O1CCCC1 1.680 amine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-octadecylamine&solvent=THF O=Cc2c1c(cccc1)c(Cl)c3c2cccc3.O1CCCC1 2012-05-16T19:28:46Z 3919 10-chloro-9-anthraldehyde O=Cc2c1c(cccc1)c(Cl)c3c2cccc3 THF O1CCCC1 0.076 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=10-chloro-9-anthraldehyde&solvent=THF O=C(O)Cc1ccc2OCOc2c1.O1CCCC1 2012-05-16T19:28:46Z 3920 2-(1,3-benzodioxol-5-yl)acetic acid O=C(O)Cc1ccc2OCOc2c1 THF O1CCCC1 2.730 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(1,3-benzodioxol-5-yl)acetic+acid&solvent=THF O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC.C1CCOC1 2012-05-16T19:28:46Z 3921 2-(4-ethylbenzoyl)benzoic acid O=C(O)c2ccccc2C(=O)c1ccc(cc1)CC THF C1CCOC1 0.163 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(4-ethylbenzoyl)benzoic+acid&solvent=THF Oc2ccc(N=Nc1ccccc1C(O)=O)cc2.O1CCCC1 2012-05-16T19:28:46Z 3922 2-(4-hydroxyphenyl-azo)benzoic acid Oc2ccc(N=Nc1ccccc1C(O)=O)cc2 THF O1CCCC1 0.546 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-(4-hydroxyphenyl-azo)benzoic+acid&solvent=THF O=Cc1cc(ccc1Cl)[N+]([O-])=O.O1CCCC1 2012-05-16T19:28:46Z 3923 2-chloro-5-nitrobenzaldehyde O=Cc1cc(ccc1Cl)[N+]([O-])=O THF O1CCCC1 2.788 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzaldehyde&solvent=THF O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.O1CCCC1 2012-05-16T19:28:46Z 3924 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O THF O1CCCC1 2.970 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=THF O=C(O)c1ccccc1OC.O1CCCC1 2012-05-16T19:28:46Z 3925 2-methoxybenzoic acid O=C(O)c1ccccc1OC THF O1CCCC1 2.020 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=THF O=C(O)c1ccccc1C.O1CCCC1 2012-05-16T19:28:46Z 3926 2-methylbenzoic acid O=C(O)c1ccccc1C THF O1CCCC1 2.920 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=THF O=C(O)C(=O)CCC(=O)O.O1CCCC1 2012-05-16T19:28:46Z 3927 2-oxopentanedioic acid O=C(O)C(=O)CCC(=O)O THF O1CCCC1 3.120 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-oxopentanedioic+acid&solvent=THF O=C(O)C(c1ccccc1)CC.O1CCCC1 2012-05-16T19:28:46Z 3928 2-phenylbutyric acid O=C(O)C(c1ccccc1)CC THF O1CCCC1 5.960 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-phenylbutyric+acid&solvent=THF CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-].C1CCOC1 2012-05-16T19:28:46Z 3929 2,3-dimethyl-2,3-dinitrobutane CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-] THF C1CCOC1 0.065 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-dimethyl-2,3-dinitrobutane&solvent=THF O=Cc1c(OC)cc(OC)cc1OC.O1CCCC1 2012-05-16T19:28:46Z 3930 2,4,6-trimethoxybenzaldehyde O=Cc1c(OC)cc(OC)cc1OC THF O1CCCC1 0.140 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,4,6-trimethoxybenzaldehyde&solvent=THF O=C(O)c1cc(O)ccc1O.C1CCOC1 2012-05-16T19:28:46Z 3931 2,5-dihydroxybenzoic acid O=C(O)c1cc(O)ccc1O THF C1CCOC1 3.071 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,5-dihydroxybenzoic+acid&solvent=THF O=Cc1c(Cl)cccc1Cl.O1CCCC1 2012-05-16T19:28:46Z 3932 2,6-dichlorobenzaldehyde O=Cc1c(Cl)cccc1Cl THF O1CCCC1 2.480 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,6-dichlorobenzaldehyde&solvent=THF Clc1cccc(Cl)c1CC(=O)O.O1CCCC1 2012-05-16T19:28:46Z 3933 2,6-dichlorophenylacetic acid Clc1cccc(Cl)c1CC(=O)O THF O1CCCC1 3.032 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,6-dichlorophenylacetic+acid&solvent=THF O=C(O)c1cc(Cl)ccc1.C1CCOC1 2012-05-16T19:28:46Z 3934 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 THF C1CCOC1 2.571 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=THF O=C(O)\C=C\c2c1ccccc1nc2.C1CCOC1 2012-05-16T19:28:46Z 3935 3-indoleacrylic acid O=C(O)\C=C\c2c1ccccc1nc2 THF C1CCOC1 1.918 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-indoleacrylic+acid&solvent=THF O=C(O)c1cc(ccc1)C.C1CCOC1 2012-05-16T19:28:46Z 3936 3-methylbenzoic acid O=C(O)c1cc(ccc1)C THF C1CCOC1 3.598 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=THF O=[N+]([O-])c1cc(C(=O)O)ccc1.C1CCOC1 2012-05-16T19:28:46Z 3937 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 THF C1CCOC1 3.914 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=THF O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)O.C1CCOC1 2012-05-16T19:28:46Z 3938 3-nitrophthalic acid O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)O THF C1CCOC1 2.304 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalic+acid&solvent=THF Cc1ccc(cc1C)C=O.O1CCCC1 2012-05-16T19:28:46Z 3939 3,4-dimethylbenzaldehyde Cc1ccc(cc1C)C=O THF O1CCCC1 7.540 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,4-dimethylbenzaldehyde&solvent=THF O=C(O)Cc1ccc2OCOc2c1.O1CCCC1 2012-05-16T19:28:46Z 3940 3,4-methylendioxyphenylacetic acid O=C(O)Cc1ccc2OCOc2c1 THF O1CCCC1 1.950 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,4-methylendioxyphenylacetic+acid&solvent=THF O=Cc1cc(OC)cc(OC)c1.O1CCCC1 2012-05-16T19:28:46Z 3941 3,5-dimethoxybenzaldehyde O=Cc1cc(OC)cc(OC)c1 THF O1CCCC1 4.030 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dimethoxybenzaldehyde&solvent=THF Cc1cc(C=O)cc(C)c1.O1CCCC1 2012-05-16T19:28:46Z 3942 3,5-dimethylbenzaldehyde Cc1cc(C=O)cc(C)c1 THF O1CCCC1 7.440 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dimethylbenzaldehyde&solvent=THF O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.C1CCOC1 2012-05-16T19:28:46Z 3943 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O THF C1CCOC1 1.659 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=THF Clc1ccc(cc1Cl)C3c2ccccc2C(=O)CC3.C1CCOC1 2012-05-16T19:28:46Z 3944 4-(3,4-dichlorophenyl)-1-tetralone Clc1ccc(cc1Cl)C3c2ccccc2C(=O)CC3 THF C1CCOC1 1.277 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-(3,4-dichlorophenyl)-1-tetralone&solvent=THF O=C(Nc1ccc(cc1)C(=O)O)C.O1CCCC1 2012-05-16T19:28:46Z 3945 4-acetamidobenzoic acid O=C(Nc1ccc(cc1)C(=O)O)C THF O1CCCC1 0.170 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-acetamidobenzoic+acid&solvent=THF Brc1ccc(cc1)CC(=O)O.O1CCCC1 2012-05-16T19:28:46Z 3946 4-bromophenylacetic acid Brc1ccc(cc1)CC(=O)O THF O1CCCC1 3.683 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-bromophenylacetic+acid&solvent=THF O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.O1CCCC1 2012-05-16T19:28:46Z 3947 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O THF O1CCCC1 1.950 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=THF O=Cc1ccc(Cl)cc1.O1CCCC1 2012-05-16T19:28:46Z 3948 4-chlorobenzaldehyde O=Cc1ccc(Cl)cc1 THF O1CCCC1 5.283 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzaldehyde&solvent=THF O=C(O)c1ccc(Cl)cc1.C1CCOC1 2012-05-16T19:28:46Z 3949 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 THF C1CCOC1 0.719 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=THF Clc1ccc(cc1)CC(=O)O.O1CCCC1 2012-05-16T19:28:46Z 3950 4-chlorophenylacetic acid Clc1ccc(cc1)CC(=O)O THF O1CCCC1 4.453 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorophenylacetic+acid&solvent=THF O=CC=Cc1ccc(N(C)C)cc1.O1CCCC1 2012-05-16T19:28:46Z 3951 4-dimethylamino cinnamaldehyde O=CC=Cc1ccc(N(C)C)cc1 THF O1CCCC1 0.417 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-dimethylamino+cinnamaldehyde&solvent=THF O=Cc1ccc(N(C)C)cc1.O1CCCC1 2012-05-16T19:28:46Z 3952 4-dimethylaminobenzaldehyde O=Cc1ccc(N(C)C)cc1 THF O1CCCC1 2.500 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-dimethylaminobenzaldehyde&solvent=THF CCc1ccc(C=O)cc1.O1CCCC1 2012-05-16T19:28:46Z 3953 4-ethylbenzaldehyde CCc1ccc(C=O)cc1 THF O1CCCC1 7.300 aldehyde y http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-ethylbenzaldehyde&solvent=THF O=C(O)c1ccc(F)cc1.O1CCCC1 2012-05-16T19:28:46Z 3954 4-fluorobenzoic acid O=C(O)c1ccc(F)cc1 THF O1CCCC1 2.490 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-fluorobenzoic+acid&solvent=THF O=Cc1ccc(O)c(c1)C.O1CCCC1 2012-05-16T19:28:46Z 3955 4-hydroxy-3-methylbenzaldehyde O=Cc1ccc(O)c(c1)C THF O1CCCC1 3.052 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxy-3-methylbenzaldehyde&solvent=THF O=Cc1ccc(O)cc1.O1CCCC1 2012-05-16T19:28:46Z 3956 4-hydroxybenzaldehyde O=Cc1ccc(O)cc1 THF O1CCCC1 3.698 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzaldehyde&solvent=THF COc1ccc(cc1)C(O)=O.O1CCCC1 2012-05-16T19:28:46Z 3957 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O THF O1CCCC1 0.700 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=THF O=C(O)Cc1ccc(OC)cc1.O1CCCC1 2012-05-16T19:28:46Z 3958 4-methoxyphenylacetic acid O=C(O)Cc1ccc(OC)cc1 THF O1CCCC1 3.740 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxyphenylacetic+acid&solvent=THF O=C(O)c1ccc(cc1)C.O1CCCC1 2012-05-16T19:28:46Z 3959 4-methylbenzoic acid O=C(O)c1ccc(cc1)C THF O1CCCC1 1.607 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methylbenzoic+acid&solvent=THF c1cc(C=O)ccc1[N+](=O)[O-].O1CCCC1 2012-05-16T19:28:46Z 3960 4-nitrobenzaldehyde c1cc(C=O)ccc1[N+](=O)[O-] THF O1CCCC1 0.880 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzaldehyde&solvent=THF O=[N+]([O-])c1ccc(C(=O)O)cc1.O1CCCC1 2012-05-16T19:28:46Z 3961 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 THF O1CCCC1 0.780 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=THF O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3.O1CCCC1 2012-05-16T19:28:46Z 3962 4-pyrenebutanoic acid O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3 THF O1CCCC1 0.550 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-pyrenebutanoic+acid&solvent=THF Clc1cc2nccc(Cl)c2cc1.C1CCOC1 2012-05-16T19:28:46Z 3963 4,7-dichloroquinoline Clc1cc2nccc(Cl)c2cc1 THF C1CCOC1 0.816 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4,7-dichloroquinoline&solvent=THF O=C(O)c1cc(ccc1O)N.C1CCOC1 2012-05-16T19:28:46Z 3964 5-aminosalicylic acid O=C(O)c1cc(ccc1O)N THF C1CCOC1 8.374 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-aminosalicylic+acid&solvent=THF BrCCCCCCCC(=O)O.O1CCCC1 2012-05-16T19:28:46Z 3965 8-bromooctanoic acid BrCCCCCCCC(=O)O THF O1CCCC1 3.560 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=8-bromooctanoic+acid&solvent=THF c1cc2cccc3c2c(c1)CC3.C1CCOC1 2012-05-16T19:28:46Z 3966 acenaphthene c1cc2cccc3c2c(c1)CC3 THF C1CCOC1 2.132 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=THF O=C(Nc1ccc(O)cc1)C.C1CCOC1 2012-05-16T19:28:46Z 3967 acetaminophen O=C(Nc1ccc(O)cc1)C THF C1CCOC1 0.925 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=THF O=C(Oc1ccccc1C(=O)O)C.C1CCOC1 2012-05-16T19:28:46Z 3968 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C THF C1CCOC1 2.089 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=THF N#C\C(=C/c1ccc(O)cc1)C(=O)O.C1CCOC1 2012-05-16T19:28:46Z 3969 alpha-cyano-4-hydroxycinnamic acid N#C\C(=C/c1ccc(O)cc1)C(=O)O THF C1CCOC1 6.971 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=alpha-cyano-4-hydroxycinnamic+acid&solvent=THF O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO.C1CCOC1 2012-05-16T19:28:46Z 3970 ascorbic acid O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO THF C1CCOC1 0.008 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ascorbic+acid&solvent=THF c1ccc(cc1)/C=N/c2ccccc2.O1CCCC1 2012-05-16T19:28:46Z 3971 benzalaniline c1ccc(cc1)/C=N/c2ccccc2 THF O1CCCC1 4.091 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzalaniline&solvent=THF c1ccccc1C(=O)O.O1CCCC1 2012-05-16T19:28:46Z 3972 benzoic acid c1ccccc1C(=O)O THF O1CCCC1 3.367 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=THF O=C(O)c1ccc2nnnc2c1.O1CCCC1 2012-05-16T19:28:46Z 3973 benzotriazole-5-carboxylic acid O=C(O)c1ccc2nnnc2c1 THF O1CCCC1 0.023 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzotriazole-5-carboxylic+acid&solvent=THF O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5.C1CCOC1 2012-05-16T19:28:46Z 3974 betulinic acid O=C(O)[C@@]54[C@@H]([C@@H]3[C@@]([C@]1([C@@H]([C@]2(C)[C@@H](CC1)C(C)(C)[C@@H](O)CC2)CC3)C)(C)CC4)[C@H](C(=C)\C)CC5 THF C1CCOC1 0.026 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=betulinic+acid&solvent=THF O=C(OC(C)(C)C)NCC(=O)O.O1CCCC1 2012-05-16T19:28:46Z 3975 boc-glycine O=C(OC(C)(C)C)NCC(=O)O THF O1CCCC1 3.716 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-glycine&solvent=THF O=C(OC(C)(C)C)N[C@H](C(=O)O)CO.O1CCCC1 2012-05-16T19:28:46Z 3976 boc-serine O=C(OC(C)(C)C)N[C@H](C(=O)O)CO THF O1CCCC1 3.113 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-serine&solvent=THF ClCC(O)=O.O1CCCC1 2012-05-16T19:28:46Z 3977 chloroacetic acid ClCC(O)=O THF O1CCCC1 9.627 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroacetic+acid&solvent=THF O=C2c1ccccc1C(=O)c3c2cccc3Cl.C1CCOC1 2012-05-16T19:28:46Z 3978 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl THF C1CCOC1 0.236 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=THF O=C(O)C=Cc1ccccc1.C1CCOC1 2012-05-16T19:28:46Z 3979 cinnamic acid O=C(O)C=Cc1ccccc1 THF C1CCOC1 2.329 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=THF O=C(O)CC(O)(C(=O)O)CC(=O)O.O1CCCC1 2012-05-16T19:28:46Z 3980 citric acid anhydrous O=C(O)CC(O)(C(=O)O)CC(=O)O THF O1CCCC1 1.800 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=citric+acid+anhydrous&solvent=THF O=C(O)CC(O)(C(=O)O)CC(=O)O.O1CCCC1 2012-05-16T19:28:46Z 3981 citric acid monohydrate O=C(O)CC(O)(C(=O)O)CC(=O)O THF O1CCCC1 1.524 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=citric+acid+monohydrate&solvent=THF O=C(O)/C=C/C.O1CCCC1 2012-05-16T19:28:46Z 3982 crotonic acid O=C(O)/C=C/C THF O1CCCC1 8.090 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=crotonic+acid&solvent=THF O[C@H]1[C@H](O)[C@H](OC(O)[C@@H]1O)CO.O1CCCC1 2012-05-16T19:28:46Z 3983 D-glucose O[C@H]1[C@H](O)[C@H](OC(O)[C@@H]1O)CO THF O1CCCC1 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=D-glucose&solvent=THF O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO.O1CCCC1 2012-05-16T19:28:46Z 3984 D-mannitol O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)CO THF O1CCCC1 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=D-mannitol&solvent=THF O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.C1CCOC1 2012-05-16T19:28:46Z 3985 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 THF C1CCOC1 0.022 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=THF O=S(=O)(c1ccccc1)c2ccccc2.C1CCOC1 2012-05-16T19:28:46Z 3986 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 THF C1CCOC1 1.168 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=THF O=C(O)C(c1ccccc1)c2ccccc2.O1CCCC1 2012-05-16T19:28:46Z 3987 diphenylacetic acid O=C(O)C(c1ccccc1)c2ccccc2 THF O1CCCC1 2.910 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenylacetic+acid&solvent=THF Clc1ccc(NC(=O)N(C)C)cc1Cl.C1CCOC1 2012-05-16T19:28:46Z 3988 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl THF C1CCOC1 0.371 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=THF OC(=O)c1ccco1.O1CCCC1 2012-05-16T19:28:46Z 3989 furoic acid OC(=O)c1ccco1 THF O1CCCC1 4.070 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furoic+acid&solvent=THF O=C(OC)CN.O1CCCC1 2012-05-16T19:28:46Z 3990 glycine methyl ester O=C(OC)CN THF O1CCCC1 0.040 amine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=glycine+methyl+ester&solvent=THF c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.C1CCOC1 2012-05-16T19:28:46Z 3991 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl THF C1CCOC1 0.074 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=THF CN(C)c1ccc(cc1)C=Nc2ccccc2.C1CCCO1 2012-05-16T19:28:46Z 3992 N-(4-Dimethylaminobenzylidene)aniline CN(C)c1ccc(cc1)C=Nc2ccccc2 THF C1CCCO1 1.512 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-(4-Dimethylaminobenzylidene)aniline&solvent=THF COc1ccc(cc1)C=Nc2ccccc2.C1CCCO1 2012-05-16T19:28:46Z 3993 N-(4-methoxybenzylidene)aniline COc1ccc(cc1)C=Nc2ccccc2 THF C1CCCO1 3.264 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-(4-methoxybenzylidene)aniline&solvent=THF Oc1ccc(cc1OC)C=Nc2ccccc2.C1CCCO1 2012-05-16T19:28:46Z 3994 N-vanillylideneaniline Oc1ccc(cc1OC)C=Nc2ccccc2 THF C1CCCO1 1.304 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-vanillylideneaniline&solvent=THF c1ccc2ccccc2c1.C1CCOC1 2012-05-16T19:28:46Z 3995 naphthalene c1ccc2ccccc2c1 THF C1CCOC1 3.697 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=THF O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.C1CCOC1 2012-05-16T19:28:46Z 3996 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C THF C1CCOC1 1.481 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=THF O=C(O)c1cccnc1.O1CCCC1 2012-05-16T19:28:46Z 3997 nicotinic acid O=C(O)c1cccnc1 THF O1CCCC1 0.055 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nicotinic+acid&solvent=THF Oc1c(cccc1OC)C=O.O1CCCC1 2012-05-16T19:28:46Z 3998 o-vanillin Oc1c(cccc1OC)C=O THF O1CCCC1 5.370 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=o-vanillin&solvent=THF O=S(=O)(c1ccc(cc1)C)C[N+]#[C-].O1CCCC1 2012-05-16T19:28:46Z 3999 p-toluenesulfonylmethyl isocyanide O=S(=O)(c1ccc(cc1)C)C[N+]#[C-] THF O1CCCC1 1.860 isonitrile n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-toluenesulfonylmethyl+isocyanide&solvent=THF O=C(Nc1ccc(OCC)cc1)C.C1CCOC1 2012-05-16T19:28:46Z 4000 phenacetin O=C(Nc1ccc(OCC)cc1)C THF C1CCOC1 0.399 Non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=THF c1ccc2c(c1)ccc3c2cccc3.C1CCOC1 2012-05-16T19:28:46Z 4001 phenanthrene c1ccc2c(c1)ccc3c2cccc3 THF C1CCOC1 2.823 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=THF O=Cc2cc3c(c1c2cccc1)cccc3.O1CCCC1 2012-05-16T19:28:46Z 4002 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 THF O1CCCC1 1.290 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=THF O=C(O)Cc1ccccc1.O1CCCC1 2012-05-16T19:28:46Z 4003 phenylacetic acid O=C(O)Cc1ccccc1 THF O1CCCC1 5.620 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=THF O=C(C#Cc1ccccc1)O.O1CCCC1 2012-05-16T19:28:46Z 4004 phenylpropynoic acid O=C(C#Cc1ccccc1)O THF O1CCCC1 4.343 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylpropynoic+acid&solvent=THF O=C(O)CCCCCC(=O)O.C1CCOC1 2012-05-16T19:28:46Z 4005 pimelic acid O=C(O)CCCCCC(=O)O THF C1CCOC1 2.072 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimelic+acid&solvent=THF O=Cc1ccc2OCOc2c1.O1CCCC1 2012-05-16T19:28:46Z 4006 piperonal O=Cc1ccc2OCOc2c1 THF O1CCCC1 7.440 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=piperonal&solvent=THF c1cc2ccc3cccc4c3c2c(c1)cc4.C1CCOC1 2012-05-16T19:28:46Z 4007 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 THF C1CCOC1 0.150 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=THF O=C(c1ccccc1O)N.C1CCOC1 2012-05-16T19:28:46Z 4008 salicylamide O=C(c1ccccc1O)N THF C1CCOC1 2.087 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=THF O=C(O)c1ccccc1O.C1CCOC1 2012-05-16T19:28:46Z 4009 salicylic acid O=C(O)c1ccccc1O THF C1CCOC1 4.172 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=THF O=C(O)\C=C\c1cc(OC)c(O)c(OC)c1.O1CCCC1 2012-05-16T19:28:46Z 4010 sinapic acid O=C(O)\C=C\c1cc(OC)c(O)c(OC)c1 THF O1CCCC1 0.446 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sinapic+acid&solvent=THF Cl[Na].O1CCCC1 2012-05-16T19:28:46Z 4011 sodium chloride Cl[Na] THF O1CCCC1 0.037 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sodium+chloride&solvent=THF c1ccc(cc1)/C=C/c2ccccc2.C1CCOC1 2012-05-16T19:28:46Z 4012 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 THF C1CCOC1 1.159 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=THF CC(C)(C)NC(=O)C(N(CCCCCCC)C(=O)\C=C\C)c2cc3ccccc3c1ccccc12.O1CCCC1 2012-05-16T19:28:46Z 4013 Ugi product 148B CC(C)(C)NC(=O)C(N(CCCCCCC)C(=O)\C=C\C)c2cc3ccccc3c1ccccc12 THF O1CCCC1 0.395 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+148B&solvent=THF CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23.O1CCCC1 2012-05-16T19:28:46Z 4014 Ugi product 150D(UC) CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23 THF O1CCCC1 0.490 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+150D(UC)&solvent=THF O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC.O1CCCC1 2012-05-16T19:28:46Z 4015 Ugi product 176C (UC) O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC THF O1CCCC1 0.280 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+176C+(UC)&solvent=THF O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C.O1CCCC1 2012-05-16T19:28:46Z 4016 Ugi product 206B(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C THF O1CCCC1 0.258 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+206B(UC)&solvent=THF CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23.O1CCCC1 2012-05-16T19:28:46Z 4017 Ugi product 214C(UC) CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23 THF O1CCCC1 0.352 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+214C(UC)&solvent=THF Clc5ccc(CC(=O)N(Cc1ccccc1)C(c3cc4ccccc4c2ccccc23)C(=O)NCCCC)cc5.O1CCCC1 2012-05-16T19:28:46Z 4018 Ugi product 215F(UC) Clc5ccc(CC(=O)N(Cc1ccccc1)C(c3cc4ccccc4c2ccccc23)C(=O)NCCCC)cc5 THF O1CCCC1 0.610 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+215F(UC)&solvent=THF Oc1ccc(cc1OC)C=O.O1CCCC1 2012-05-16T19:28:46Z 4019 vanillin Oc1ccc(cc1OC)C=O THF O1CCCC1 3.594 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=vanillin&solvent=THF COc1cc(ccc1OC)C=O.O1CCCC1 2012-05-16T19:28:46Z 4020 veratraldehyde COc1cc(ccc1OC)C=O THF O1CCCC1 5.335 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=veratraldehyde&solvent=THF [O-][N+](=O)c2cccc1ccccc12.Cc1ccccc1 2012-05-16T19:28:46Z 4021 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 toluene Cc1ccccc1 3.562 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=toluene NCCCCCCCCCCCCCCCCCC.c1ccccc1C 2012-05-16T19:28:46Z 4022 1-octadecylamine NCCCCCCCCCCCCCCCCCC toluene c1ccccc1C 1.340 amine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-octadecylamine&solvent=toluene Brc1ccc(Br)cc1.c1ccccc1C 2012-05-16T19:28:46Z 4023 1,4-dibromobenzene Brc1ccc(Br)cc1 toluene c1ccccc1C 2.243 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=toluene O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2.Cc1ccccc1 2012-05-16T19:28:46Z 4024 2-amino-5-nitrobenzophenone O=C(c1cc(ccc1N)[N+]([O-])=O)c2ccccc2 toluene Cc1ccccc1 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-amino-5-nitrobenzophenone&solvent=toluene c1cc(ncc1CCl)Cl.c1ccccc1C 2012-05-16T19:28:46Z 4025 2-chloro-5-chloromethylpyridine c1cc(ncc1CCl)Cl toluene c1ccccc1C 1.036 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-chloromethylpyridine&solvent=toluene O=Cc1cc(ccc1Cl)[N+]([O-])=O.c1ccccc1C 2012-05-16T19:28:46Z 4026 2-chloro-5-nitrobenzaldehyde O=Cc1cc(ccc1Cl)[N+]([O-])=O toluene c1ccccc1C 1.742 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzaldehyde&solvent=toluene n2c1ccccc1nc2C.c1ccccc1C 2012-05-16T19:28:46Z 4027 2-methylbenzimidazole n2c1ccccc1nc2C toluene c1ccccc1C 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzimidazole&solvent=toluene O=C(O)C(c1ccccc1)CC.c1ccccc1C 2012-05-16T19:28:46Z 4028 2-phenylbutyric acid O=C(O)C(c1ccccc1)CC toluene c1ccccc1C 5.350 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-phenylbutyric+acid&solvent=toluene O=C(N)C1CC1(C)C.c1ccccc1C 2012-05-16T19:28:46Z 4029 2,2-dimethylcyclopropanecarboxamide O=C(N)C1CC1(C)C toluene c1ccccc1C 0.378 Non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,2-dimethylcyclopropanecarboxamide&solvent=toluene CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-].Cc1ccccc1 2012-05-16T19:28:46Z 4030 2,3-dimethyl-2,3-dinitrobutane CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-] toluene Cc1ccccc1 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-dimethyl-2,3-dinitrobutane&solvent=toluene c1cc(nc(c1)N)N.Cc1ccccc1 2012-05-16T19:28:46Z 4031 2,6-diaminopyridine c1cc(nc(c1)N)N toluene Cc1ccccc1 0.042 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,6-diaminopyridine&solvent=toluene O=Cc1c(Cl)cccc1Cl.c1ccccc1C 2012-05-16T19:28:46Z 4032 2,6-dichlorobenzaldehyde O=Cc1c(Cl)cccc1Cl toluene c1ccccc1C 1.740 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,6-dichlorobenzaldehyde&solvent=toluene Clc1ccc(cc1Cl)C3c2ccccc2C(=O)CC3.Cc1ccccc1 2012-05-16T19:28:46Z 4033 4-(3,4-dichlorophenyl)-1-tetralone Clc1ccc(cc1Cl)C3c2ccccc2C(=O)CC3 toluene Cc1ccccc1 0.674 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-(3,4-dichlorophenyl)-1-tetralone&solvent=toluene Clc1ccc(cc1)CC(=O)O.c1ccccc1C 2012-05-16T19:28:46Z 4034 4-chlorophenylacetic acid Clc1ccc(cc1)CC(=O)O toluene c1ccccc1C 0.890 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorophenylacetic+acid&solvent=toluene O=Cc1ccc(N(C)C)cc1.c1ccccc1C 2012-05-16T19:28:46Z 4035 4-dimethylaminobenzaldehyde O=Cc1ccc(N(C)C)cc1 toluene c1ccccc1C 1.540 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-dimethylaminobenzaldehyde&solvent=toluene O=C(O)c1ccc(F)cc1.c1ccccc1C 2012-05-16T19:28:46Z 4036 4-fluorobenzoic acid O=C(O)c1ccc(F)cc1 toluene c1ccccc1C 0.065 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-fluorobenzoic+acid&solvent=toluene O=Cc1ccc(O)cc1.c1ccccc1C 2012-05-16T19:28:46Z 4037 4-hydroxybenzaldehyde O=Cc1ccc(O)cc1 toluene c1ccccc1C 0.020 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzaldehyde&solvent=toluene O=C(O)c1ccc(O)cc1.c1ccccc1C 2012-05-16T19:28:46Z 4038 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 toluene c1ccccc1C 0.005 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=toluene O=C(O)Cc1ccc(O)cc1.c1ccccc1C 2012-05-16T19:28:46Z 4039 4-hydroxyphenylacetic acid O=C(O)Cc1ccc(O)cc1 toluene c1ccccc1C 0.334 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxyphenylacetic+acid&solvent=toluene O=C(O)Cc1ccc(OC)cc1.c1ccccc1C 2012-05-16T19:28:46Z 4040 4-methoxyphenylacetic acid O=C(O)Cc1ccc(OC)cc1 toluene c1ccccc1C 0.370 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxyphenylacetic+acid&solvent=toluene c1cc(C=O)ccc1[N+](=O)[O-].c1ccccc1C 2012-05-16T19:28:46Z 4041 4-nitrobenzaldehyde c1cc(C=O)ccc1[N+](=O)[O-] toluene c1ccccc1C 0.460 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzaldehyde&solvent=toluene c1c[n+](ccc1[N+](=O)[O-])[O-].c1ccccc1C 2012-05-16T19:28:46Z 4042 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] toluene c1ccccc1C 0.051 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=toluene O=C(O)CCCc1ccccc1.c1ccccc1C 2012-05-16T19:28:46Z 4043 4-phenylbutyric acid O=C(O)CCCc1ccccc1 toluene c1ccccc1C 3.670 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-phenylbutyric+acid&solvent=toluene O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3.c1ccccc1C 2012-05-16T19:28:46Z 4044 4-pyrenebutanoic acid O=C(O)CCCc4cc2cccc1ccc3c(c12)c4ccc3 toluene c1ccccc1C 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-pyrenebutanoic+acid&solvent=toluene O=C3c1ccccc1c2c3cccc2.c1ccccc1C 2012-05-16T19:28:46Z 4045 9-fluorenone O=C3c1ccccc1c2c3cccc2 toluene c1ccccc1C 2.170 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=toluene O=C(Nc1ccc(O)cc1)C.c1ccccc1C 2012-05-16T19:28:46Z 4046 acetaminophen O=C(Nc1ccc(O)cc1)C toluene c1ccccc1C 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=toluene O=C(Oc1ccccc1C(=O)O)C.c1ccccc1C 2012-05-16T19:28:46Z 4047 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C toluene c1ccccc1C 0.012 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=toluene C(CCC(=O)O)CC(=O)O.Cc1ccccc1 2012-05-16T19:28:46Z 4048 adipic acid C(CCC(=O)O)CC(=O)O toluene Cc1ccccc1 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adipic+acid&solvent=toluene c1ccc2cc3ccccc3cc2c1.c1ccccc1C 2012-05-16T19:28:46Z 4049 anthracene c1ccc2cc3ccccc3cc2c1 toluene c1ccccc1C 0.069 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=toluene Oc1ccc(cc1OC)C(C)=O.c1ccccc1C 2012-05-16T19:28:46Z 4050 apocynin Oc1ccc(cc1OC)C(C)=O toluene c1ccccc1C 0.059 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=apocynin&solvent=toluene O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C.Cc1ccccc1 2012-05-16T19:28:46Z 4051 artemisinin O=C3O[C@@H]4O[C@@]1(OO[C@@]42[C@@H](CC1)[C@H](C)CC[C@H]2[C@H]3C)C toluene Cc1ccccc1 0.435 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=artemisinin&solvent=toluene O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO.c1ccccc1C 2012-05-16T19:28:46Z 4052 ascorbic acid O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO toluene c1ccccc1C 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ascorbic+acid&solvent=toluene O=C(O)c2ccc([N+](/[O-])=N/c1ccc(cc1)C(=O)O)cc2.c1ccccc1C 2012-05-16T19:28:46Z 4053 azoxydibenzoic acid O=C(O)c2ccc([N+](/[O-])=N/c1ccc(cc1)C(=O)O)cc2 toluene c1ccccc1C 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=azoxydibenzoic+acid&solvent=toluene c1ccc(cc1)/C=N/c2ccccc2.c1ccccc1C 2012-05-16T19:28:46Z 4054 benzalaniline c1ccc(cc1)/C=N/c2ccccc2 toluene c1ccccc1C 3.558 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzalaniline&solvent=toluene c1ccc(cc1)C(=O)C(=O)c2ccccc2.Cc1ccccc1 2012-05-16T19:28:46Z 4055 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 toluene Cc1ccccc1 1.259 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=toluene c1ccc2c(c1)[nH]cn2.c1ccccc1C 2012-05-16T19:28:46Z 4056 benzimidazole c1ccc2c(c1)[nH]cn2 toluene c1ccccc1C 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzimidazole&solvent=toluene c1ccccc1C(=O)O.c1ccccc1C 2012-05-16T19:28:46Z 4057 benzoic acid c1ccccc1C(=O)O toluene c1ccccc1C 0.664 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=toluene c1ccc(cc1)C(C(=O)c2ccccc2)O.Cc1ccccc1 2012-05-16T19:28:46Z 4058 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O toluene Cc1ccccc1 0.051 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=toluene c1ccc(cc1)c2ccccc2.c1ccccc1C 2012-05-16T19:28:46Z 4059 biphenyl c1ccc(cc1)c2ccccc2 toluene c1ccccc1C 3.039 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=toluene c1cccc2oc(nc12)CSCc3nc4ccccc4o3.Cc1ccccc1 2012-05-16T19:28:46Z 4060 bis(benzoxazolyl-2-methyl)sulfide c1cccc2oc(nc12)CSCc3nc4ccccc4o3 toluene Cc1ccccc1 0.081 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=bis(benzoxazolyl-2-methyl)sulfide&solvent=toluene O=C(OC(C)(C)C)NCC(=O)O.c1ccccc1C 2012-05-16T19:28:46Z 4061 boc-glycine O=C(OC(C)(C)C)NCC(=O)O toluene c1ccccc1C 0.190 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-glycine&solvent=toluene ClCC(O)=O.c1ccccc1C 2012-05-16T19:28:46Z 4062 chloroacetic acid ClCC(O)=O toluene c1ccccc1C 1.413 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroacetic+acid&solvent=toluene O=C2c1ccccc1C(=O)c3c2cccc3Cl.c1ccccc1C 2012-05-16T19:28:46Z 4063 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl toluene c1ccccc1C 0.139 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=toluene O=C(O)C=Cc1ccccc1.c1ccccc1C 2012-05-16T19:28:46Z 4064 cinnamic acid O=C(O)C=Cc1ccccc1 toluene c1ccccc1C 0.249 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=toluene O=C(O)/C=C/C.c1ccccc1C 2012-05-16T19:28:46Z 4065 crotonic acid O=C(O)/C=C/C toluene c1ccccc1C 3.520 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=crotonic+acid&solvent=toluene Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.Cc1ccccc1 2012-05-16T19:28:46Z 4066 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F toluene Cc1ccccc1 2.965 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=toluene O=Cc2cc(c1cc(cc(OC)c1O)C=O)c(O)c(OC)c2.c1ccccc1C 2012-05-16T19:28:46Z 4067 dehydrodivanillin O=Cc2cc(c1cc(cc(OC)c1O)C=O)c(O)c(OC)c2 toluene c1ccccc1C 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dehydrodivanillin&solvent=toluene O=C(OC)c2cc(c1cc(cc(OC)c1O)C(=O)OC)c(O)c(OC)c2.c1ccccc1C 2012-05-16T19:28:46Z 4068 di(methyl vanillate) O=C(OC)c2cc(c1cc(cc(OC)c1O)C(=O)OC)c(O)c(OC)c2 toluene c1ccccc1C 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=di(methyl+vanillate)&solvent=toluene O=C(c2cc(c1cc(cc(OC)c1O)C(=O)C)c(O)c(OC)c2)C.c1ccccc1C 2012-05-16T19:28:46Z 4069 diapocynin O=C(c2cc(c1cc(cc(OC)c1O)C(=O)C)c(O)c(OC)c2)C toluene c1ccccc1C 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diapocynin&solvent=toluene O=C(O)C(c1ccccc1)c2ccccc2.c1ccccc1C 2012-05-16T19:28:46Z 4070 diphenylacetic acid O=C(O)C(c1ccccc1)c2ccccc2 toluene c1ccccc1C 0.170 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenylacetic+acid&solvent=toluene Clc1ccc(NC(=O)N(C)C)cc1Cl.Cc1ccccc1 2012-05-16T19:28:46Z 4071 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl toluene Cc1ccccc1 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=toluene c1ccc-2c(c1)-c3cccc4c3c2ccc4.Cc1ccccc1 2012-05-16T19:28:46Z 4072 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 toluene Cc1ccccc1 1.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=toluene c1ccc-2c(c1)Cc3c2cccc3.Cc1ccccc1 2012-05-16T19:28:46Z 4073 fluorene c1ccc-2c(c1)Cc3c2cccc3 toluene Cc1ccccc1 1.118 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=toluene OC(=O)c1ccco1.c1ccccc1C 2012-05-16T19:28:46Z 4074 furoic acid OC(=O)c1ccco1 toluene c1ccccc1C 0.060 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furoic+acid&solvent=toluene c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.Cc1ccccc1 2012-05-16T19:28:46Z 4075 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F toluene Cc1ccccc1 0.109 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=toluene ClC(Cl)(Cl)C(Cl)(Cl)Cl.c1ccccc1C 2012-05-16T19:28:46Z 4076 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl toluene c1ccccc1C 1.920 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=toluene O=C(O)C(O)c1ccccc1.c1ccccc1C 2012-05-16T19:28:46Z 4077 mandelic acid O=C(O)C(O)c1ccccc1 toluene c1ccccc1C 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=mandelic+acid&solvent=toluene O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C.Cc1ccccc1 2012-05-16T19:28:46Z 4078 meloxicam O=C\2c1c(cccc1)S(=O)(=O)N(C/2=C(\O)Nc3ncc(s3)C)C toluene Cc1ccccc1 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=toluene O=P(c1ccccc1)(c2ccccc2)C.Cc1ccccc1 2012-05-16T19:28:46Z 4079 methyl diphenylphosphine oxide O=P(c1ccccc1)(c2ccccc2)C toluene Cc1ccccc1 0.266 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+diphenylphosphine+oxide&solvent=toluene Clc1ccc(NC(=O)N(C)C)cc1.Cc1ccccc1 2012-05-16T19:28:46Z 4080 monuron Clc1ccc(NC(=O)N(C)C)cc1 toluene Cc1ccccc1 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=toluene CN(C)c1ccc(cc1)C=Nc2ccccc2.C1(=CC=CC=C1)C 2012-05-16T19:28:46Z 4081 N-(4-Dimethylaminobenzylidene)aniline CN(C)c1ccc(cc1)C=Nc2ccccc2 toluene C1(=CC=CC=C1)C 0.756 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-(4-Dimethylaminobenzylidene)aniline&solvent=toluene COc1ccc(cc1)C=Nc2ccccc2.C1(=CC=CC=C1)C 2012-05-16T19:28:46Z 4082 N-(4-methoxybenzylidene)aniline COc1ccc(cc1)C=Nc2ccccc2 toluene C1(=CC=CC=C1)C 2.670 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-(4-methoxybenzylidene)aniline&solvent=toluene Fc1cc(cc(F)c1Br)N2C(=O)C=CC2=O.Cc1ccccc1 2012-05-16T19:28:46Z 4083 N-[(4-bromo-3,5-difluoro)phenyl]maleimide Fc1cc(cc(F)c1Br)N2C(=O)C=CC2=O toluene Cc1ccccc1 0.037 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-[(4-bromo-3,5-difluoro)phenyl]maleimide&solvent=toluene Oc1ccc(cc1OC)C=Nc2ccccc2.C1(=CC=CC=C1)C 2012-05-16T19:28:46Z 4084 N-vanillylideneaniline Oc1ccc(cc1OC)C=Nc2ccccc2 toluene C1(=CC=CC=C1)C 0.047 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-vanillylideneaniline&solvent=toluene c1ccc2ccccc2c1.c1ccccc1C 2012-05-16T19:28:46Z 4085 naphthalene c1ccc2ccccc2c1 toluene c1ccccc1C 2.635 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=toluene O=C(O)c1cccnc1.c1ccccc1C 2012-05-16T19:28:46Z 4086 nicotinic acid O=C(O)c1cccnc1 toluene c1ccccc1C 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nicotinic+acid&solvent=toluene Oc1c(cccc1OC)C=O.c1ccccc1C 2012-05-16T19:28:46Z 4087 o-vanillin Oc1c(cccc1OC)C=O toluene c1ccccc1C 3.820 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=o-vanillin&solvent=toluene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.Cc1ccccc1 2012-05-16T19:28:46Z 4088 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F toluene Cc1ccccc1 1.966 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=toluene O=S(=O)(O)c1ccc(cc1)C.c1ccccc1C 2012-05-16T19:28:46Z 4089 p-toluenesulfonic acid O=S(=O)(O)c1ccc(cc1)C toluene c1ccccc1C 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-toluenesulfonic+acid&solvent=toluene O=S(=O)(c1ccc(cc1)C)C[N+]#[C-].c1ccccc1C 2012-05-16T19:28:46Z 4090 p-toluenesulfonylmethyl isocyanide O=S(=O)(c1ccc(cc1)C)C[N+]#[C-] toluene c1ccccc1C 0.140 isonitrile n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-toluenesulfonylmethyl+isocyanide&solvent=toluene c1ccc2c(c1)ccc3c2cccc3.c1ccccc1C 2012-05-16T19:28:46Z 4091 phenanthrene c1ccc2c(c1)ccc3c2cccc3 toluene c1ccccc1C 2.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=toluene O=Cc2cc3c(c1c2cccc1)cccc3.c1ccccc1C 2012-05-16T19:28:46Z 4092 phenanthrene-9-carboxaldehyde O=Cc2cc3c(c1c2cccc1)cccc3 toluene c1ccccc1C 0.140 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene-9-carboxaldehyde&solvent=toluene O=C(O)Cc1ccccc1.c1ccccc1C 2012-05-16T19:28:46Z 4093 phenylacetic acid O=C(O)Cc1ccccc1 toluene c1ccccc1C 1.913 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=toluene Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5.c1ccccc1C 2012-05-16T19:28:46Z 4094 pimozide Fc1ccc(cc1)C(c2ccc(F)cc2)CCCN5CCC(N4c3ccccc3NC4=O)CC5 toluene c1ccccc1C 0.022 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pimozide&solvent=toluene O=Cc1ccc2OCOc2c1.c1ccccc1C 2012-05-16T19:28:46Z 4095 piperonal O=Cc1ccc2OCOc2c1 toluene c1ccccc1C 6.400 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=piperonal&solvent=toluene c1cc2ccc3cccc4c3c2c(c1)cc4.Cc1ccccc1 2012-05-16T19:28:46Z 4096 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 toluene Cc1ccccc1 0.612 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=toluene O=C(O)c1ccccc1O.c1ccccc1C 2012-05-16T19:28:46Z 4097 salicylic acid O=C(O)c1ccccc1O toluene c1ccccc1C 0.110 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=toluene O=C(O)CCCCCCCCCCCCCCCCC.c1ccccc1C 2012-05-16T19:28:46Z 4098 stearic acid O=C(O)CCCCCCCCCCCCCCCCC toluene c1ccccc1C 0.060 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=stearic+acid&solvent=toluene O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2.Cc1ccccc1 2012-05-16T19:28:46Z 4099 sulfamethoxypyridazine O=S(=O)(Nc1nnc(OC)cc1)c2ccc(N)cc2 toluene Cc1ccccc1 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxypyridazine&solvent=toluene O=C1c3c(Sc2c1cccc2)cccc3.c1ccccc1C 2012-05-16T19:28:46Z 4100 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 toluene c1ccccc1C 0.049 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=toluene c1ccc(cc1)/C=C/c2ccccc2.c1ccccc1C 2012-05-16T19:28:46Z 4101 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 toluene c1ccccc1C 0.553 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=toluene Clc2ccc(OC(C(=O)C(C)(C)C)n1ncnc1)cc2.Cc1ccccc1 2012-05-16T19:28:46Z 4102 triadimefon Clc2ccc(OC(C(=O)C(C)(C)C)n1ncnc1)cc2 toluene Cc1ccccc1 1.222 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triadimefon&solvent=toluene CC(C)(C)NC(=O)C(c1ccc2OCOc2c1)N(Cc3ccc(C)o3)C(=O)CNC(=O)OC(C)(C)C.c1ccccc1C 2012-05-16T19:28:46Z 4103 UCExp216-3A CC(C)(C)NC(=O)C(c1ccc2OCOc2c1)N(Cc3ccc(C)o3)C(=O)CNC(=O)OC(C)(C)C toluene c1ccccc1C 0.010 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=UCExp216-3A&solvent=toluene CC(C)(C)NC(=O)C(N(CCCCCCC)C(=O)\C=C\C)c2cc3ccccc3c1ccccc12.c1ccccc1C 2012-05-16T19:28:46Z 4104 Ugi product 148B CC(C)(C)NC(=O)C(N(CCCCCCC)C(=O)\C=C\C)c2cc3ccccc3c1ccccc12 toluene c1ccccc1C 0.140 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+148B&solvent=toluene CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23.c1ccccc1C 2012-05-16T19:28:46Z 4105 Ugi product 150D(UC) CC(C)(C)NC(=O)C(N(Cc1ccccc1)C(=O)\C=C\C)c3cc4ccccc4c2ccccc23 toluene c1ccccc1C 0.040 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+150D(UC)&solvent=toluene O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC.c1ccccc1C 2012-05-16T19:28:46Z 4106 Ugi product 176C (UC) O=C(Cc1ccccc1)N(Cc2ccco2)C(c4cc5ccccc5c3ccccc34)C(=O)NCCCC toluene c1ccccc1C 0.030 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+176C+(UC)&solvent=toluene O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C.c1ccccc1C 2012-05-16T19:28:46Z 4107 Ugi product 206B(UC) O=C(CNC(=O)OC(C)(C)C)N(Cc1ccco1)C(c2ccccc2)C(=O)NC(C)(C)C toluene c1ccccc1C 0.010 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+206B(UC)&solvent=toluene Clc5ccc(CC(=O)N(Cc1ccccc1)C(c3cc4ccccc4c2ccccc23)C(=O)NCCCC)cc5.c1ccccc1C 2012-05-16T19:28:46Z 4108 Ugi product 215F(UC) Clc5ccc(CC(=O)N(Cc1ccccc1)C(c3cc4ccccc4c2ccccc23)C(=O)NCCCC)cc5 toluene c1ccccc1C 0.070 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+product+215F(UC)&solvent=toluene Cc1ccc(o1)CC(C(c2ccc(c(c2)OC)OC)C(=O)NC(C)(C)C)C(=O)CNC(=O)OC(C)(C)C.c1ccccc1C 2012-05-16T19:28:46Z 4109 Ugi Product 216-4A Cc1ccc(o1)CC(C(c2ccc(c(c2)OC)OC)C(=O)NC(C)(C)C)C(=O)CNC(=O)OC(C)(C)C toluene c1ccccc1C 0.200 Ugi Product n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=Ugi+Product+216-4A&solvent=toluene Oc1ccc(cc1OC)C=O.c1ccccc1C 2012-05-16T19:28:46Z 4110 vanillin Oc1ccc(cc1OC)C=O toluene c1ccccc1C 0.302 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=vanillin&solvent=toluene COc1cc(ccc1OC)C=O.c1ccccc1C 2012-05-16T19:28:46Z 4111 veratraldehyde COc1cc(ccc1OC)C=O toluene c1ccccc1C 4.535 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=veratraldehyde&solvent=toluene c1ccc(cc1)c2ccccc2.C[C@@H]1CCCC[C@H]1C 2012-05-16T19:28:46Z 4112 biphenyl c1ccc(cc1)c2ccccc2 trans-1,2-dimethylcyclohexane C[C@@H]1CCCC[C@H]1C 1.238 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=trans-1,2-dimethylcyclohexane Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.C[C@@H]1CCCC[C@H]1C 2012-05-16T19:28:46Z 4113 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F trans-1,2-dimethylcyclohexane C[C@@H]1CCCC[C@H]1C 0.794 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=trans-1,2-dimethylcyclohexane ClC(Cl)(Cl)C(Cl)(Cl)Cl.C[C@@H]1CCCC[C@H]1C 2012-05-16T19:28:46Z 4114 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl trans-1,2-dimethylcyclohexane C[C@@H]1CCCC[C@H]1C 1.208 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=trans-1,2-dimethylcyclohexane c1ccc2ccccc2c1.C[C@@H]1CCCC[C@H]1C 2012-05-16T19:28:46Z 4115 naphthalene c1ccc2ccccc2c1 trans-1,2-dimethylcyclohexane C[C@@H]1CCCC[C@H]1C 1.071 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=trans-1,2-dimethylcyclohexane Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.C[C@@H]1CCCC[C@H]1C 2012-05-16T19:28:46Z 4116 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F trans-1,2-dimethylcyclohexane C[C@@H]1CCCC[C@H]1C 0.584 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=trans-1,2-dimethylcyclohexane c1ccc(cc1)c2ccccc2.C[C@H]1CC[C@H](C)CC1 2012-05-16T19:28:46Z 4117 biphenyl c1ccc(cc1)c2ccccc2 trans-1,4-dimethylcyclohexane C[C@H]1CC[C@H](C)CC1 1.171 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=trans-1,4-dimethylcyclohexane Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F.C[C@H]1CC[C@H](C)CC1 2012-05-16T19:28:46Z 4118 decafluorobiphenyl Fc1c(c(F)c(F)c(F)c1F)c2c(F)c(F)c(F)c(F)c2F trans-1,4-dimethylcyclohexane C[C@H]1CC[C@H](C)CC1 0.888 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decafluorobiphenyl&solvent=trans-1,4-dimethylcyclohexane ClC(Cl)(Cl)C(Cl)(Cl)Cl.C[C@H]1CC[C@H](C)CC1 2012-05-16T19:28:46Z 4119 hexachloroethane ClC(Cl)(Cl)C(Cl)(Cl)Cl trans-1,4-dimethylcyclohexane C[C@H]1CC[C@H](C)CC1 1.172 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachloroethane&solvent=trans-1,4-dimethylcyclohexane c1ccc2ccccc2c1.C[C@H]1CC[C@H](C)CC1 2012-05-16T19:28:46Z 4120 naphthalene c1ccc2ccccc2c1 trans-1,4-dimethylcyclohexane C[C@H]1CC[C@H](C)CC1 1.049 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=trans-1,4-dimethylcyclohexane Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F.C[C@H]1CC[C@H](C)CC1 2012-05-16T19:28:46Z 4121 octafluoronaphthalene Fc2c1c(F)c(F)c(F)c(F)c1c(F)c(F)c2F trans-1,4-dimethylcyclohexane C[C@H]1CC[C@H](C)CC1 0.604 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=octafluoronaphthalene&solvent=trans-1,4-dimethylcyclohexane c1ccc-2c(c1)Cc3c2cccc3.CC(=O)OC(COC(=O)C)COC(C)=O 2012-05-16T19:28:46Z 4122 fluorene c1ccc-2c(c1)Cc3c2cccc3 triacetin CC(=O)OC(COC(=O)C)COC(C)=O 0.360 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=triacetin c1ccc2cc3ccccc3cc2c1.O=P(OCCCC)(OCCCC)OCCCC 2012-05-16T19:28:46Z 4123 anthracene c1ccc2cc3ccccc3cc2c1 tributyl phosphate O=P(OCCCC)(OCCCC)OCCCC 0.056 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=tributyl+phosphate c1cc2ccc3cccc4c3c2c(c1)cc4.O=P(OCCCC)(OCCCC)OCCCC 2012-05-16T19:28:46Z 4124 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 tributyl phosphate O=P(OCCCC)(OCCCC)OCCCC 0.505 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=tributyl+phosphate O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3.ClC(Cl)(Cl)CO 2012-05-16T19:28:46Z 4125 dibenzo-18-crown-6 O1c3c(OCCOCCOc2ccccc2OCCOCC1)cccc3 trichloroethanol ClC(Cl)(Cl)CO 0.710 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dibenzo-18-crown-6&solvent=trichloroethanol O=C(O)C=Cc1ccccc1.Cl\C=C(/Cl)Cl 2012-05-16T19:28:46Z 4126 cinnamic acid O=C(O)C=Cc1ccccc1 trichloroethylene Cl\C=C(/Cl)Cl 0.408 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=trichloroethylene O=C(O)CCCCCCCCCCC.Cl\C=C(/Cl)Cl 2012-05-16T19:28:46Z 4127 lauric acid O=C(O)CCCCCCCCCCC trichloroethylene Cl\C=C(/Cl)Cl 2.778 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lauric+acid&solvent=trichloroethylene CCCCCCCCCCCCCCCC(=O)O.Cl\C=C(/Cl)Cl 2012-05-16T19:28:46Z 4128 palmitic acid CCCCCCCCCCCCCCCC(=O)O trichloroethylene Cl\C=C(/Cl)Cl 0.928 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=palmitic+acid&solvent=trichloroethylene O=C(O)CCCCCCCCCCCCCCCCC.Cl\C=C(/Cl)Cl 2012-05-16T19:28:46Z 4129 stearic acid O=C(O)CCCCCCCCCCCCCCCCC trichloroethylene Cl\C=C(/Cl)Cl 0.445 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=stearic+acid&solvent=trichloroethylene CN(C1=CC=C(C=O)C=C1)C.FC(F)(F)CO 2012-05-16T19:28:46Z 4130 4-dimethylaminobenzaldehyde CN(C1=CC=C(C=O)C=C1)C trifluoroethanol FC(F)(F)CO 4.460 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-dimethylaminobenzaldehyde&solvent=trifluoroethanol c1ccc2cc3ccccc3cc2c1.FCC(F)(F)O 2012-05-16T19:28:46Z 4131 anthracene c1ccc2cc3ccccc3cc2c1 trifluoroethanol FCC(F)(F)O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=trifluoroethanol c1ccc(cc1)/C=N/c2ccccc2.FC(F)(F)CO 2012-05-16T19:28:46Z 4132 benzalaniline c1ccc(cc1)/C=N/c2ccccc2 trifluoroethanol FC(F)(F)CO 3.657 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzalaniline&solvent=trifluoroethanol c1ccc(cc1)C(=O)C(=O)c2ccccc2.FC(F)(F)CO 2012-05-16T19:28:46Z 4133 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 trifluoroethanol FC(F)(F)CO 0.445 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=trifluoroethanol c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N.FC(F)(F)CO 2012-05-16T19:28:46Z 4134 carbamazepine c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N trifluoroethanol FC(F)(F)CO 0.206 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbamazepine&solvent=trifluoroethanol O=C(O)C=Cc1ccccc1.FC(F)(F)CO 2012-05-16T19:28:46Z 4135 cinnamic acid O=C(O)C=Cc1ccccc1 trifluoroethanol FC(F)(F)CO 0.160 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=trifluoroethanol c1ccc-2c(c1)-c3cccc4c3c2ccc4.FCC(F)(F)O 2012-05-16T19:28:46Z 4136 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 trifluoroethanol FCC(F)(F)O 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=trifluoroethanol Clc1ccc(NC(=O)N(C)C)cc1.FC(F)(F)CO 2012-05-16T19:28:46Z 4137 monuron Clc1ccc(NC(=O)N(C)C)cc1 trifluoroethanol FC(F)(F)CO 0.341 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=trifluoroethanol CN(C)c1ccc(cc1)C=Nc2ccccc2.FC(F)(F)CO 2012-05-16T19:28:46Z 4138 N-(4-Dimethylaminobenzylidene)aniline CN(C)c1ccc(cc1)C=Nc2ccccc2 trifluoroethanol FC(F)(F)CO 2.472 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-(4-Dimethylaminobenzylidene)aniline&solvent=trifluoroethanol COC2=CC=C(C=NC1=CC=CC=C1)C=C2.FC(F)(F)CO 2012-05-16T19:28:46Z 4139 N-(4-methoxybenzylidene)aniline COC2=CC=C(C=NC1=CC=CC=C1)C=C2 trifluoroethanol FC(F)(F)CO 2.754 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-(4-methoxybenzylidene)aniline&solvent=trifluoroethanol Oc1ccc(cc1OC)C=Nc2ccccc2.FC(F)(F)CO 2012-05-16T19:28:46Z 4140 N-vanillylideneaniline Oc1ccc(cc1OC)C=Nc2ccccc2 trifluoroethanol FC(F)(F)CO 0.072 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-vanillylideneaniline&solvent=trifluoroethanol c1ccc2c(c1)ccc3c2cccc3.FC(F)(F)CO 2012-05-16T19:28:46Z 4141 phenanthrene c1ccc2c(c1)ccc3c2cccc3 trifluoroethanol FC(F)(F)CO 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=trifluoroethanol c1ccc(c(c1)C(=O)O)C(=O)O.FC(F)(F)CO 2012-05-16T19:28:46Z 4142 phthalic acid c1ccc(c(c1)C(=O)O)C(=O)O trifluoroethanol FC(F)(F)CO 0.929 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phthalic+acid&solvent=trifluoroethanol c1cc2ccc3cccc4c3c2c(c1)cc4.FCC(F)(F)O 2012-05-16T19:28:46Z 4143 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 trifluoroethanol FCC(F)(F)O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=trifluoroethanol C(C1=CC=CC=C1O)(=O)O.FC(F)(F)CO 2012-05-16T19:28:46Z 4144 salicylic acid C(C1=CC=CC=C1O)(=O)O trifluoroethanol FC(F)(F)CO 0.081 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=trifluoroethanol C(C1=CC=CC=C1O)=NC2=CC=CC=C2.FC(F)(F)CO 2012-05-16T19:28:46Z 4145 salicylideneaniline C(C1=CC=CC=C1O)=NC2=CC=CC=C2 trifluoroethanol FC(F)(F)CO 1.502 imine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylideneaniline&solvent=trifluoroethanol O=C1c3c(Sc2c1cccc2)cccc3.FC(F)(F)CO 2012-05-16T19:28:46Z 4146 thiaxanthenone O=C1c3c(Sc2c1cccc2)cccc3 trifluoroethanol FC(F)(F)CO 0.121 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthenone&solvent=trifluoroethanol O=CC1=CC(=C(O)C=C1)OC.FC(F)(F)CO 2012-05-16T19:28:46Z 4147 vanillin O=CC1=CC(=C(O)C=C1)OC trifluoroethanol FC(F)(F)CO 2.029 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=vanillin&solvent=trifluoroethanol [O-][N+](=O)c2cccc1ccccc12.C(CCCCCCCC)CC 2012-05-16T19:28:46Z 4148 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 undecane C(CCCCCCCC)CC 0.141 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=undecane O=C3c1ccccc1c2c3cccc2.C(CCCCCCCC)CC 2012-05-16T19:28:46Z 4149 9-fluorenone O=C3c1ccccc1c2c3cccc2 undecane C(CCCCCCCC)CC 0.120 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=9-fluorenone&solvent=undecane c1cc2cccc3c2c(c1)CC3.C(CCCCCCCC)CC 2012-05-16T19:28:46Z 4150 acenaphthene c1cc2cccc3c2c(c1)CC3 undecane C(CCCCCCCC)CC 0.407 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=undecane c1ccc2cc3ccccc3cc2c1.C(CCCCCCCC)CC 2012-05-16T19:28:46Z 4151 anthracene c1ccc2cc3ccccc3cc2c1 undecane C(CCCCCCCC)CC 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=undecane c1ccc-2c(c1)Cc3c2cccc3.C(CCCCCCCC)CC 2012-05-16T19:28:46Z 4152 fluorene c1ccc-2c(c1)Cc3c2cccc3 undecane C(CCCCCCCC)CC 0.244 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=undecane c1ccc2c(c1)ccc3c2cccc3.C(CCCCCCCC)CC 2012-05-16T19:28:46Z 4153 phenanthrene c1ccc2c(c1)ccc3c2cccc3 undecane C(CCCCCCCC)CC 0.288 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=undecane c1cc2ccc3cccc4c3c2c(c1)cc4.C(CCCCCCCC)CC 2012-05-16T19:28:46Z 4154 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 undecane C(CCCCCCCC)CC 0.105 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=undecane S1c3c(Sc2c1cccc2)cccc3.C(CCCCCCCC)CC 2012-05-16T19:28:46Z 4155 thianthrene S1c3c(Sc2c1cccc2)cccc3 undecane C(CCCCCCCC)CC 0.030 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thianthrene&solvent=undecane c1ccc(cc1)/C=C/c2ccccc2.C(CCCCCCCC)CC 2012-05-16T19:28:46Z 4156 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 undecane C(CCCCCCCC)CC 0.076 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=undecane O2c1ccccc1Cc3c2cccc3.C(CCCCCCCC)CC 2012-05-16T19:28:46Z 4157 xanthene O2c1ccccc1Cc3c2cccc3 undecane C(CCCCCCCC)CC 0.230 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthene&solvent=undecane O=C(O)Cn1nnnc1.O 2012-05-16T19:28:46Z 4158 1-H-tetrazole-1-acetic acid O=C(O)Cn1nnnc1 water O 1.212 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-H-tetrazole-1-acetic+acid&solvent=water [O-][N+](=O)c2cccc1ccccc12.O 2012-05-16T19:28:46Z 4159 1-nitronaphthalene [O-][N+](=O)c2cccc1ccccc12 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1-nitronaphthalene&solvent=water Clc1cccc(Cl)c1Cl.O 2012-05-16T19:28:46Z 4160 1,2,3-trichlorobenzene Clc1cccc(Cl)c1Cl water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,3-trichlorobenzene&solvent=water n1cnnc1.O 2012-05-16T19:28:46Z 4161 1,2,4-triazole n1cnnc1 water O 10.338 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,2,4-triazole&solvent=water Brc1ccc(Br)cc1.O 2012-05-16T19:28:46Z 4162 1,4-dibromobenzene Brc1ccc(Br)cc1 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=1,4-dibromobenzene&solvent=water c1cc(ncc1CCl)Cl.O 2012-05-16T19:28:46Z 4163 2-chloro-5-chloromethylpyridine c1cc(ncc1CCl)Cl water O 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-chloromethylpyridine&solvent=water O=C(O)c1cc(ccc1Cl)[N+]([O-])=O.O 2012-05-16T19:28:46Z 4164 2-chloro-5-nitrobenzoic acid O=C(O)c1cc(ccc1Cl)[N+]([O-])=O water O 0.018 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-chloro-5-nitrobenzoic+acid&solvent=water O=C(O)c1ccccc1OC.O 2012-05-16T19:28:46Z 4165 2-methoxybenzoic acid O=C(O)c1ccccc1OC water O 0.028 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methoxybenzoic+acid&solvent=water O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O.O 2012-05-16T19:28:46Z 4166 2-methyl-3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc(C(=O)O)c1C)[N+]([O-])=O water O 0.003 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methyl-3,5-dinitrobenzoic+acid&solvent=water O=C(O)c1ccccc1C.O 2012-05-16T19:28:46Z 4167 2-methylbenzoic acid O=C(O)c1ccccc1C water O 0.009 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-methylbenzoic+acid&solvent=water c1ccc2cc(ccc2c1)O.O 2012-05-16T19:28:46Z 4168 2-naphthol c1ccc2cc(ccc2c1)O water O 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2-naphthol&solvent=water O=C(N)C1CC1(C)C.O 2012-05-16T19:28:46Z 4169 2,2-dimethylcyclopropanecarboxamide O=C(N)C1CC1(C)C water O 0.201 Non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,2-dimethylcyclopropanecarboxamide&solvent=water Clc2cc(Cl)cc(Cl)c2c1c(Cl)cc(Cl)cc1Cl.O 2012-05-16T19:28:46Z 4170 2,2',4,4',6,6'-hexachlorobiphenyl Clc2cc(Cl)cc(Cl)c2c1c(Cl)cc(Cl)cc1Cl water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,2',4,4',6,6'-hexachlorobiphenyl&solvent=water CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-].O 2012-05-16T19:28:46Z 4171 2,3-dimethyl-2,3-dinitrobutane CC(C)(C(C)(C)[N+](=O)[O-])[N+](=O)[O-] water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,3-dimethyl-2,3-dinitrobutane&solvent=water Clc2cc(Cl)cc(Cl)c2c1ccccc1.O 2012-05-16T19:28:46Z 4172 2,4,6-trichlorobiphenyl Clc2cc(Cl)cc(Cl)c2c1ccccc1 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,4,6-trichlorobiphenyl&solvent=water O=C(O)c1cc(O)ccc1O.O 2012-05-16T19:28:46Z 4173 2,5-dihydroxybenzoic acid O=C(O)c1cc(O)ccc1O water O 0.778 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=2,5-dihydroxybenzoic+acid&solvent=water O=C(O)c1cc(Cl)ccc1.O 2012-05-16T19:28:46Z 4174 3-chlorobenzoic acid O=C(O)c1cc(Cl)ccc1 water O 0.002 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-chlorobenzoic+acid&solvent=water O=C(O)c1cc(ccc1)C.O 2012-05-16T19:28:46Z 4175 3-methylbenzoic acid O=C(O)c1cc(ccc1)C water O 0.007 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-methylbenzoic+acid&solvent=water O=[N+]([O-])c1cc(C(=O)O)ccc1.O 2012-05-16T19:28:46Z 4176 3-nitrobenzoic acid O=[N+]([O-])c1cc(C(=O)O)ccc1 water O 0.021 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrobenzoic+acid&solvent=water O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)O.O 2012-05-16T19:28:46Z 4177 3-nitrophthalic acid O=[N+]([O-])c1cccc(c1C(=O)O)C(=O)O water O 0.098 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3-nitrophthalic+acid&solvent=water O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O.O 2012-05-16T19:28:46Z 4178 3,5-dinitrobenzoic acid O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1)C(=O)O water O 0.004 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=3,5-dinitrobenzoic+acid&solvent=water O=C(c1ccc(N)cc1)NC.O 2012-05-16T19:28:46Z 4179 4-amino-N-methylbenzamide O=C(c1ccc(N)cc1)NC water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-amino-N-methylbenzamide&solvent=water O=C(O)c1ccc(N)cc1.O 2012-05-16T19:28:46Z 4180 4-aminobenzoic acid O=C(O)c1ccc(N)cc1 water O 0.072 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-aminobenzoic+acid&solvent=water O=[N+]([O-])c1cc(ccc1Cl)C(=O)O.O 2012-05-16T19:28:46Z 4181 4-chloro-3-nitrobenzoic acid O=[N+]([O-])c1cc(ccc1Cl)C(=O)O water O 0.002 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chloro-3-nitrobenzoic+acid&solvent=water O=C(O)c1ccc(Cl)cc1.O 2012-05-16T19:28:46Z 4182 4-chlorobenzoic acid O=C(O)c1ccc(Cl)cc1 water O 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobenzoic+acid&solvent=water Clc2ccc(c1ccccc1)cc2.O 2012-05-16T19:28:46Z 4183 4-chlorobiphenyl Clc2ccc(c1ccccc1)cc2 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-chlorobiphenyl&solvent=water O=C(O)c1ccc(F)cc1.O 2012-05-16T19:28:46Z 4184 4-fluorobenzoic acid O=C(O)c1ccc(F)cc1 water O 0.009 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-fluorobenzoic+acid&solvent=water O=Cc1ccc(O)cc1.O 2012-05-16T19:28:46Z 4185 4-hydroxybenzaldehyde O=Cc1ccc(O)cc1 water O 0.113 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzaldehyde&solvent=water O=C(N)Cc1ccc(O)cc1.O 2012-05-16T19:28:46Z 4186 4-hydroxybenzeneacetamide O=C(N)Cc1ccc(O)cc1 water O 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzeneacetamide&solvent=water O=C(O)c1ccc(O)cc1.O 2012-05-16T19:28:46Z 4187 4-hydroxybenzoic acid O=C(O)c1ccc(O)cc1 water O 0.037 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxybenzoic+acid&solvent=water O=C(O)Cc1ccc(O)cc1.O 2012-05-16T19:28:46Z 4188 4-hydroxyphenylacetic acid O=C(O)Cc1ccc(O)cc1 water O 0.114 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-hydroxyphenylacetic+acid&solvent=water COc1ccc(cc1)C(O)=O.O 2012-05-16T19:28:46Z 4189 4-methoxybenzoic acid COc1ccc(cc1)C(O)=O water O 0.003 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxybenzoic+acid&solvent=water O=C(O)Cc1ccc(OC)cc1.O 2012-05-16T19:28:46Z 4190 4-methoxyphenylacetic acid O=C(O)Cc1ccc(OC)cc1 water O 0.036 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methoxyphenylacetic+acid&solvent=water O=C(O)c1ccc(cc1)C.O 2012-05-16T19:28:46Z 4191 4-methylbenzoic acid O=C(O)c1ccc(cc1)C water O 0.003 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-methylbenzoic+acid&solvent=water O=[N+]([O-])c1ccc(C(=O)O)cc1.O 2012-05-16T19:28:46Z 4192 4-nitrobenzoic acid O=[N+]([O-])c1ccc(C(=O)O)cc1 water O 0.001 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitrobenzoic+acid&solvent=water c1c[n+](ccc1[N+](=O)[O-])[O-].O 2012-05-16T19:28:46Z 4193 4-nitropyridine-N-oxide c1c[n+](ccc1[N+](=O)[O-])[O-] water O 0.205 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-nitropyridine-N-oxide&solvent=water O=C(O)CCCc1ccccc1.O 2012-05-16T19:28:46Z 4194 4-phenylbutyric acid O=C(O)CCCc1ccccc1 water O 0.010 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4-phenylbutyric+acid&solvent=water Clc1cc2nccc(Cl)c2cc1.O 2012-05-16T19:28:46Z 4195 4,7-dichloroquinoline Clc1cc2nccc(Cl)c2cc1 water O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=4,7-dichloroquinoline&solvent=water O=C(O)c1cc(ccc1O)N.O 2012-05-16T19:28:46Z 4196 5-aminosalicylic acid O=C(O)c1cc(ccc1O)N water O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-aminosalicylic+acid&solvent=water FC=1\C=N/C(=O)NC=1N.O 2012-05-16T19:28:46Z 4197 5-fluorocytosine FC=1\C=N/C(=O)NC=1N water O 0.070 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluorocytosine&solvent=water c1c(c(=O)[nH]c(=O)[nH]1)F.O 2012-05-16T19:28:46Z 4198 5-fluorouracil c1c(c(=O)[nH]c(=O)[nH]1)F water O 0.105 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5-fluorouracil&solvent=water O=C2NC(=O)NC2(c1ccccc1)c3ccccc3.O 2012-05-16T19:28:46Z 4199 5,5-diphenylhydantoin O=C2NC(=O)NC2(c1ccccc1)c3ccccc3 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=5,5-diphenylhydantoin&solvent=water C(CCC(=O)O)CCN.O 2012-05-16T19:28:46Z 4200 6-aminocaproic acid C(CCC(=O)O)CCN water O 0.106 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=6-aminocaproic+acid&solvent=water Clc2cccc(Cl)c2Nc1ccccc1CC(=O)OCC(=O)O.O 2012-05-16T19:28:46Z 4201 aceclofenac Clc2cccc(Cl)c2Nc1ccccc1CC(=O)OCC(=O)O water O 0.003 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac&solvent=water CC(C(=O)OC)NC(=O)COC(=O)CC1=CC=CC=CC1NC2=C(CC=CC=C2Cl)Cl.O 2012-05-16T19:28:46Z 4202 aceclofenac alanine methyl aster CC(C(=O)OC)NC(=O)COC(=O)CC1=CC=CC=CC1NC2=C(CC=CC=C2Cl)Cl water O 0.035 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac+alanine+methyl+aster&solvent=water CC(C)CC(C(=O)OC)NC(=O)COC(=O)CC1=CC=CC=CC1NC2=C(C=CC=CC2Cl)Cl.O 2012-05-16T19:28:46Z 4203 aceclofenac leucine methyl aster CC(C)CC(C(=O)OC)NC(=O)COC(=O)CC1=CC=CC=CC1NC2=C(C=CC=CC2Cl)Cl water O 0.022 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac+leucine+methyl+aster&solvent=water COC(=O)C1CCCN1C(=O)COC(=O)CC2=CC(C=CC=C2)NC3=C(C=CC=CC3Cl)Cl.O 2012-05-16T19:28:46Z 4204 aceclofenac proline methyl aster COC(=O)C1CCCN1C(=O)COC(=O)CC2=CC(C=CC=C2)NC3=C(C=CC=CC3Cl)Cl water O 0.031 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac+proline+methyl+aster&solvent=water CC(C)C(C(=O)OC)NC(=O)COC(=O)CC1=CC(C=CC=C1)NC2=C(C=CC=CC2Cl)Cl.O 2012-05-16T19:28:46Z 4205 aceclofenac valine methyl aster CC(C)C(C(=O)OC)NC(=O)COC(=O)CC1=CC(C=CC=C1)NC2=C(C=CC=CC2Cl)Cl water O 0.025 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aceclofenac+valine+methyl+aster&solvent=water c1cc2cccc3c2c(c1)CC3.O 2012-05-16T19:28:46Z 4206 acenaphthene c1cc2cccc3c2c(c1)CC3 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acenaphthene&solvent=water O=C(Nc1ccc(O)cc1)C.O 2012-05-16T19:28:46Z 4207 acetaminophen O=C(Nc1ccc(O)cc1)C water O 0.092 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetaminophen&solvent=water O=C(Nc1ccccc1)C.O 2012-05-16T19:28:46Z 4208 acetanilide O=C(Nc1ccccc1)C water O 0.065 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetanilide&solvent=water O=S(=O)(c1nnc(s1)NC(=O)C)N.O 2012-05-16T19:28:46Z 4209 acetazolamide O=S(=O)(c1nnc(s1)NC(=O)C)N water O 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetazolamide&solvent=water O=C(Oc1ccccc1C(=O)O)C.O 2012-05-16T19:28:46Z 4210 acetylsalicylic acid O=C(Oc1ccccc1C(=O)O)C water O 0.025 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=acetylsalicylic+acid&solvent=water c1[nH]c2c(ncnc2n1)N.O 2012-05-16T19:28:46Z 4211 adenine c1[nH]c2c(ncnc2n1)N water O 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adenine&solvent=water c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N.O 2012-05-16T19:28:46Z 4212 adenosine c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N water O 0.020 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=adenosine&solvent=water O=C(O)C(N)C.O 2012-05-16T19:28:46Z 4213 alanine O=C(O)C(N)C water O 1.870 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=alanine&solvent=water c1c2c([nH]n1)ncnc2O.O 2012-05-16T19:28:46Z 4214 allopurinol c1c2c([nH]n1)ncnc2O water O 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=allopurinol&solvent=water c4cc2ccc1ccc(N)c3c1c2c(cc3)c4.O 2012-05-16T19:28:46Z 4215 aminopyrene c4cc2ccc1ccc(N)c3c1c2c(cc3)c4 water O 0.244 amine n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aminopyrene&solvent=water O=C2\C(=C(/N(N2c1ccccc1)C)C)N(C)C.O 2012-05-16T19:28:46Z 4216 aminopyrine O=C2\C(=C(/N(N2c1ccccc1)C)C)N(C)C water O 0.091 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aminopyrine&solvent=water O=C1NC(=O)NC(=O)C1(CCC(C)C)CC.O 2012-05-16T19:28:46Z 4217 amobarbital O=C1NC(=O)NC(=O)C1(CCC(C)C)CC water O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=amobarbital&solvent=water O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccccc1)N)[C@H]3SC2(C)C.O 2012-05-16T19:28:46Z 4218 ampicillin O=C(O)[C@@H]2N3C(=O)[C@@H](NC(=O)[C@@H](c1ccccc1)N)[C@H]3SC2(C)C water O 0.023 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ampicillin&solvent=water c1ccc2cc3ccccc3cc2c1.O 2012-05-16T19:28:46Z 4219 anthracene c1ccc2cc3ccccc3cc2c1 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=anthracene&solvent=water O=C2\C=C(/N(N2c1ccccc1)C)C.O 2012-05-16T19:28:46Z 4220 antipyrine O=C2\C=C(/N(N2c1ccccc1)C)C water O 3.294 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=antipyrine&solvent=water O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO.O 2012-05-16T19:28:46Z 4221 ascorbic acid O\C1=C(/O)C(=O)O[C@@H]1[C@@H](O)CO water O 1.735 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ascorbic+acid&solvent=water O=C(N)CC(N)C(=O)O.O 2012-05-16T19:28:46Z 4222 asparagine O=C(N)CC(N)C(=O)O water O 0.208 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=asparagine&solvent=water O=C(O)CC(N)C(=O)O.O 2012-05-16T19:28:46Z 4223 aspartic acid O=C(O)CC(N)C(=O)O water O 0.038 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aspartic+acid&solvent=water CC(=O)Oc1ccccc1C(=O)O.O 2012-05-16T19:28:46Z 4224 aspirin CC(=O)Oc1ccccc1C(=O)O water O 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=aspirin&solvent=water CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3.O 2012-05-16T19:28:46Z 4225 atropine CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3 water O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=atropine&solvent=water [O-][N+](=O)c3ncn(c3Sc1ncnc2ncnc12)C.O 2012-05-16T19:28:46Z 4226 azathioprine [O-][N+](=O)c3ncn(c3Sc1ncnc2ncnc12)C water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=azathioprine&solvent=water Clc1ccc(cc1)C(CN)CC(=O)O.O 2012-05-16T19:28:46Z 4227 baclofen Clc1ccc(cc1)C(CN)CC(=O)O water O 0.017 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=baclofen&solvent=water O=C1NC(=O)NC(=O)C1(CC)CC.O 2012-05-16T19:28:46Z 4228 barbital O=C1NC(=O)NC(=O)C1(CC)CC water O 0.040 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=barbital&solvent=water c1ccc(cc1)C(=O)N.O 2012-05-16T19:28:46Z 4229 benzamide c1ccc(cc1)C(=O)N water O 0.084 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzamide&solvent=water c1ccc(cc1)C(=O)C(=O)c2ccccc2.O 2012-05-16T19:28:46Z 4230 benzil c1ccc(cc1)C(=O)C(=O)c2ccccc2 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzil&solvent=water O=C(OCC)c1ccc(N)cc1.O 2012-05-16T19:28:46Z 4231 benzocaine O=C(OCC)c1ccc(N)cc1 water O 0.013 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzocaine&solvent=water O=C(O)c1ccccc1.O 2012-05-16T19:28:46Z 4232 benzoic acid O=C(O)c1ccccc1 water O 0.027 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoic+acid&solvent=water c1ccc(cc1)C(C(=O)c2ccccc2)O.O 2012-05-16T19:28:46Z 4233 benzoin c1ccc(cc1)C(C(=O)c2ccccc2)O water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=benzoin&solvent=water O=C(O)CCN.O 2012-05-16T19:28:46Z 4234 beta-alanine O=C(O)CCN water O 9.988 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=beta-alanine&solvent=water c1cc(ccc1)c2ccccc2.O 2012-05-16T19:28:46Z 4235 biphenyl c1cc(ccc1)c2ccccc2 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=biphenyl&solvent=water O=C(OC(C)(C)C)N[C@H](C(=O)O)C.O 2012-05-16T19:28:46Z 4236 boc-alanine O=C(OC(C)(C)C)N[C@H](C(=O)O)C water O 0.180 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-alanine&solvent=water O=C(OC(C)(C)C)NCC(=O)O.O 2012-05-16T19:28:46Z 4237 boc-glycine O=C(OC(C)(C)C)NCC(=O)O water O 0.830 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-glycine&solvent=water O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccccc1.O 2012-05-16T19:28:46Z 4238 boc-phenylalanine O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1ccccc1 water O 0.007 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=boc-phenylalanine&solvent=water O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C.O 2012-05-16T19:28:46Z 4239 budesonide O=C\1\C=C/[C@]2(/C(=C/1)CC[C@H]3[C@H]4[C@](C[C@H](O)[C@H]23)([C@@]5(OC(O[C@@H]5C4)CCC)C(=O)CO)C)C water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=budesonide&solvent=water O=S(=O)(c2cc(cc(NCCCC)c2Oc1ccccc1)C(=O)O)N.O 2012-05-16T19:28:46Z 4240 bumetanide O=S(=O)(c2cc(cc(NCCCC)c2Oc1ccccc1)C(=O)O)N water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=bumetanide&solvent=water O=C1NC(=O)NC(=O)C1(C(C)CC)CC.O 2012-05-16T19:28:46Z 4241 butabarbital O=C1NC(=O)NC(=O)C1(C(C)CC)CC water O 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butabarbital&solvent=water O=C(OCCCC)c1ccc(N)cc1.O 2012-05-16T19:28:46Z 4242 butyl p-aminobenzoate O=C(OCCCC)c1ccc(N)cc1 water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butyl+p-aminobenzoate&solvent=water O=C(OCCCC)c1ccc(O)cc1.O 2012-05-16T19:28:46Z 4243 butylparaben O=C(OCCCC)c1ccc(O)cc1 water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=butylparaben&solvent=water O=C2N(c1ncn(c1C(=O)N2C)C)C.O 2012-05-16T19:28:46Z 4244 caffeine O=C2N(c1ncn(c1C(=O)N2C)C)C water O 0.078 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=caffeine&solvent=water c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N.O 2012-05-16T19:28:46Z 4245 carbamazepine c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=carbamazepine&solvent=water O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)[C@@H](C/3=C/C\C=C/C\3)N)C)C(=O)O.O 2012-05-16T19:28:46Z 4246 cephradine O=C2N1/C(=C(\CS[C@@H]1[C@@H]2NC(=O)[C@@H](C/3=C/C\C=C/C\3)N)C)C(=O)O water O 0.059 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cephradine&solvent=water ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO.O 2012-05-16T19:28:46Z 4247 chloramphenicol ClC(Cl)C(=O)NC(C(O)c1ccc([N+]([O-])=O)cc1)CO water O 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloramphenicol&solvent=water ClCC(O)=O.O 2012-05-16T19:28:46Z 4248 chloroacetic acid ClCC(O)=O water O 9.080 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroacetic+acid&solvent=water O=C2c1ccccc1C(=O)c3c2cccc3Cl.O 2012-05-16T19:28:46Z 4249 chloroanthraquinone O=C2c1ccccc1C(=O)c3c2cccc3Cl water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chloroanthraquinone&solvent=water O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2.O 2012-05-16T19:28:46Z 4250 chlorthalidone O=S(=O)(N)c1c(Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chlorthalidone&solvent=water Clc2cc1c(OC(=O)N1)cc2.O 2012-05-16T19:28:46Z 4251 chlorzoxazone Clc2cc1c(OC(=O)N1)cc2 water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=chlorzoxazone&solvent=water N#CN\C(=N/C)NCCSCc1ncnc1C.O 2012-05-16T19:28:46Z 4252 cimetidine N#CN\C(=N/C)NCCSCc1ncnc1C water O 0.054 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cimetidine&solvent=water O=C(O)C=Cc1ccccc1.O 2012-05-16T19:28:46Z 4253 cinnamic acid O=C(O)C=Cc1ccccc1 water O 0.004 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cinnamic+acid&solvent=water Clc1ccc(cc1)NC=3/C(=N/C(C)C)/C=C2/N(c4c(\N=C2C=3)cccc4)c5ccc(Cl)cc5.O 2012-05-16T19:28:46Z 4254 clofazimine Clc1ccc(cc1)NC=3/C(=N/C(C)C)/C=C2/N(c4c(\N=C2C=3)cccc4)c5ccc(Cl)cc5 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=clofazimine&solvent=water [O-][N+](=O)c3cc\1c(NC(=O)C/N=C/1c2ccccc2Cl)cc3.O 2012-05-16T19:28:46Z 4255 clonazepam [O-][N+](=O)c3cc\1c(NC(=O)C/N=C/1c2ccccc2Cl)cc3 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=clonazepam&solvent=water O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O 2012-05-16T19:28:46Z 4256 corticosterone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=corticosterone&solvent=water O=C(CO)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C.O 2012-05-16T19:28:46Z 4257 cortisone O=C(CO)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4C(=O)C[C@@]23C water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cortisone&solvent=water O=C(O)/C=C/C.O 2012-05-16T19:28:46Z 4258 crotonic acid O=C(O)/C=C/C water O 1.022 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=crotonic+acid&solvent=water C1CCC(CC1)C(=O)O.O 2012-05-16T19:28:46Z 4259 cyclohexanecarboxylic acid C1CCC(CC1)C(=O)O water O 0.036 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cyclohexanecarboxylic+acid&solvent=water c1cnc(=O)[nH]c1N.O 2012-05-16T19:28:46Z 4260 cytosine c1cnc(=O)[nH]c1N water O 0.061 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=cytosine&solvent=water O=S(=O)(c1ccc(N)cc1)c2ccc(N)cc2.O 2012-05-16T19:28:46Z 4261 dapsone O=S(=O)(c1ccc(N)cc1)c2ccc(N)cc2 water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dapsone&solvent=water O=C(O)CCCCCCCCC.O 2012-05-16T19:28:46Z 4262 decanoic acid O=C(O)CCCCCCCCC water O 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=decanoic+acid&solvent=water O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O 2012-05-16T19:28:46Z 4263 deoxycorticosterone O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=deoxycorticosterone&solvent=water O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3C)C)C.O 2012-05-16T19:28:46Z 4264 dexamethasone O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3C)C)C water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dexamethasone&solvent=water Ic1c(c(I)c(c(I)c1NC(=O)C)C(=O)O)NC(=O)C.O 2012-05-16T19:28:46Z 4265 diatrizoic acid Ic1c(c(I)c(c(I)c1NC(=O)C)C(=O)O)NC(=O)C water O 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diatrizoic+acid&solvent=water Clc3cc\1c(N(C(=O)C/N=C/1c2ccccc2)C)cc3.O 2012-05-16T19:28:46Z 4266 diazepam Clc3cc\1c(N(C(=O)C/N=C/1c2ccccc2)C)cc3 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diazepam&solvent=water O=C(O)c1cc(ccc1O)c2ccc(F)cc2F.O 2012-05-16T19:28:46Z 4267 diflunisal O=C(O)c1cc(ccc1O)c2ccc(F)cc2F water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diflunisal&solvent=water O=C(OC)\C=C\C(=O)OC.O 2012-05-16T19:28:46Z 4268 dimethyl fumarate O=C(OC)\C=C\C(=O)OC water O 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=dimethyl+fumarate&solvent=water OC2C/C1=C/CC5C(C1(C)CC2)CCC6(C4C(OC3(OCC(CC3)C)C4C)CC56)C.O 2012-05-16T19:28:46Z 4269 diosgenin OC2C/C1=C/CC5C(C1(C)CC2)CCC6(C4C(OC3(OCC(CC3)C)C4C)CC56)C water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diosgenin&solvent=water O=S(=O)(c1ccccc1)c2ccccc2.O 2012-05-16T19:28:46Z 4270 diphenyl sulfone O=S(=O)(c1ccccc1)c2ccccc2 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenyl+sulfone&solvent=water O=C(O)C(c1ccccc1)c2ccccc2.O 2012-05-16T19:28:46Z 4271 diphenylacetic acid O=C(O)C(c1ccccc1)c2ccccc2 water O 0.001 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diphenylacetic+acid&solvent=water O=C(N)C(c1ncccc1)(c2ccccc2)CCN(C(C)C)C(C)C.O 2012-05-16T19:28:46Z 4272 disopyramide O=C(N)C(c1ncccc1)(c2ccccc2)CCN(C(C)C)C(C)C water O 0.018 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=disopyramide&solvent=water Clc1ccc(NC(=O)N(C)C)cc1Cl.O 2012-05-16T19:28:46Z 4273 diuron Clc1ccc(NC(=O)N(C)C)cc1Cl water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=diuron&solvent=water O=C1CC2CCC1(C)C2(C)C.O 2012-05-16T19:28:46Z 4274 DL-camphor O=C1CC2CCC1(C)C2(C)C water O 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=DL-camphor&solvent=water c1c(c(cc(c1C)C)C)C.O 2012-05-16T19:28:46Z 4275 durene c1c(c(cc(c1C)C)C)C water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=durene&solvent=water O=C3CC[C@H]4C/2=C/Cc1c(ccc(O)c1)[C@H]\2CC[C@]34C.O 2012-05-16T19:28:46Z 4276 equilin O=C3CC[C@H]4C/2=C/Cc1c(ccc(O)c1)[C@H]\2CC[C@]34C water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=equilin&solvent=water Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@H](O)CC[C@H]4[C@@H]2CC3)C.O 2012-05-16T19:28:46Z 4277 estradiol-17-alpha Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@H](O)CC[C@H]4[C@@H]2CC3)C water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estradiol-17-alpha&solvent=water Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](O)[C@H](O)C[C@H]4[C@@H]2CC3)C.O 2012-05-16T19:28:46Z 4278 estriol Oc1cc3c(cc1)[C@H]2CC[C@@]4([C@@H](O)[C@H](O)C[C@H]4[C@@H]2CC3)C water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estriol&solvent=water O=C4[C@]3(CC[C@@H]2c1ccc(O)cc1CC[C@H]2[C@@H]3CC4)C.O 2012-05-16T19:28:46Z 4279 estrone O=C4[C@]3(CC[C@@H]2c1ccc(O)cc1CC[C@H]2[C@@H]3CC4)C water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=estrone&solvent=water O=C(OCC)c1ccc(N)cc1.O 2012-05-16T19:28:46Z 4280 ethyl 4-aminobenzoate O=C(OCC)c1ccc(N)cc1 water O 0.006 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethyl+4-aminobenzoate&solvent=water O=C\1C(/O)=C(\O/C=C/1)CC.O 2012-05-16T19:28:46Z 4281 ethyl maltol O=C\1C(/O)=C(\O/C=C/1)CC water O 0.128 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethyl+maltol&solvent=water O=C(OCC)c1ccc(O)cc1.O 2012-05-16T19:28:46Z 4282 ethylparaben O=C(OCC)c1ccc(O)cc1 water O 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethylparaben&solvent=water Oc1cc4c(cc1)[C@H]3CC[C@]2([C@@H](CC[C@]2(C#C)O)[C@@H]3CC4)C.O 2012-05-16T19:28:46Z 4283 ethynylestradiol-17-alpha Oc1cc4c(cc1)[C@H]3CC[C@]2([C@@H](CC[C@]2(C#C)O)[C@@H]3CC4)C water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ethynylestradiol-17-alpha&solvent=water O=C(O)CCC(=O)c2ccc(c1ccccc1)cc2.O 2012-05-16T19:28:46Z 4284 fenbufen O=C(O)CCC(=O)c2ccc(c1ccccc1)cc2 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fenbufen&solvent=water O=C(OCC)NCCOc2ccc(Oc1ccccc1)cc2.O 2012-05-16T19:28:46Z 4285 fenoxycarb O=C(OCC)NCCOc2ccc(Oc1ccccc1)cc2 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fenoxycarb&solvent=water O=C3[C@]2(CC[C@@H]1[C@@]4(C(=C/C[C@H]1[C@@H]2C[C@H]3F)\CCCC4)C)C.O 2012-05-16T19:28:46Z 4286 fluasterone O=C3[C@]2(CC[C@@H]1[C@@]4(C(=C/C[C@H]1[C@@H]2C[C@H]3F)\CCCC4)C)C water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluasterone&solvent=water FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O.O 2012-05-16T19:28:46Z 4287 flufenamic acid FC(F)(F)c1cc(ccc1)Nc2ccccc2C(=O)O water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=flufenamic+acid&solvent=water c1ccc-2c(c1)-c3cccc4c3c2ccc4.O 2012-05-16T19:28:46Z 4288 fluoranthene c1ccc-2c(c1)-c3cccc4c3c2ccc4 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluoranthene&solvent=water c1ccc-2c(c1)Cc3c2cccc3.O 2012-05-16T19:28:46Z 4289 fluorene c1ccc-2c(c1)Cc3c2cccc3 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=fluorene&solvent=water Fc2cc(ccc2c1ccccc1)C(C(=O)O)C.O 2012-05-16T19:28:46Z 4290 flurbiprofen Fc2cc(ccc2c1ccccc1)C(C(=O)O)C water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=flurbiprofen&solvent=water c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(=O)nc([nH]3)N.O 2012-05-16T19:28:46Z 4291 folic acid c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCc2cnc3c(n2)c(=O)nc([nH]3)N water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=folic+acid&solvent=water OC(=O)c1ccco1.O 2012-05-16T19:28:46Z 4292 furoic acid OC(=O)c1ccco1 water O 0.320 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furoic+acid&solvent=water O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2.O 2012-05-16T19:28:46Z 4293 furosemide O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc2 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=furosemide&solvent=water O=C(OCC(O)CO)c1ccccc1Nc2c3ccc(Cl)cc3ncc2.O 2012-05-16T19:28:46Z 4294 glafenine O=C(OCC(O)CO)c1ccccc1Nc2c3ccc(Cl)cc3ncc2 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=glafenine&solvent=water O=C(O)CN.O 2012-05-16T19:28:46Z 4295 glycine O=C(O)CN water O 3.325 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=glycine&solvent=water O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC.O 2012-05-16T19:28:46Z 4296 griseofulvin O=C1c3c(O[C@]12[C@@H](CC(=O)CC2OC)C)c(Cl)c(OC)cc3OC water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=griseofulvin&solvent=water O(c1ccccc1OC)CC(O)CO.O 2012-05-16T19:28:46Z 4297 guaifenesin O(c1ccccc1OC)CC(O)CO water O 0.181 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=guaifenesin&solvent=water c1[nH]c2c(n1)c(=O)[nH]c(n2)N.O 2012-05-16T19:28:46Z 4298 guanine c1[nH]c2c(n1)c(=O)[nH]c(n2)N water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=guanine&solvent=water c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F.O 2012-05-16T19:28:46Z 4299 haloperidol c1cc(ccc1C(=O)CCCN2CCC(CC2)(c3ccc(cc3)Cl)O)F water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=haloperidol&solvent=water O=C2c3c(O[C@H](c1ccc(OC)c(O)c1)C2)cc(O)cc3O.O 2012-05-16T19:28:46Z 4300 hesperetin O=C2c3c(O[C@H](c1ccc(OC)c(O)c1)C2)cc(O)cc3O water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hesperetin&solvent=water c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl.O 2012-05-16T19:28:46Z 4301 hexachlorobenzene c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)Cl water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hexachlorobenzene&solvent=water O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N.O 2012-05-16T19:28:46Z 4302 hydrochlorothiazide O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N water O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrochlorothiazide&solvent=water O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O 2012-05-16T19:28:46Z 4303 hydrocortisone O=C4\C=C2/[C@]([C@H]1[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4 water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydrocortisone&solvent=water FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N.O 2012-05-16T19:28:46Z 4304 hydroflumethiazide FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hydroflumethiazide&solvent=water O=C(OC2CC1N(C)C(CC1)C2)[C@@H](c3ccccc3)CO.O 2012-05-16T19:28:46Z 4305 hyoscyamine O=C(OC2CC1N(C)C(CC1)C2)[C@@H](c3ccccc3)CO water O 0.019 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=hyoscyamine&solvent=water O=C(O)C(c1ccc(cc1)CC(C)C)C.O 2012-05-16T19:28:46Z 4306 ibuprofen O=C(O)C(c1ccc(cc1)CC(C)C)C water O 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ibuprofen&solvent=water O=C/3Oc2c(OC\C=C(/C)C)c1occc1cc2\C=C\3.O 2012-05-16T19:28:46Z 4307 imperatorin O=C/3Oc2c(OC\C=C(/C)C)c1occc1cc2\C=C\3 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=imperatorin&solvent=water O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)NN3c2ccccc2CC3C.O 2012-05-16T19:28:46Z 4308 indapamide O=S(=O)(N)c1c(Cl)ccc(c1)C(=O)NN3c2ccccc2CC3C water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=indapamide&solvent=water O=C(O)C(c1ccc(cc1)N3C(=O)c2ccccc2C3)C.O 2012-05-16T19:28:46Z 4309 indoprofen O=C(O)C(c1ccc(cc1)N3C(=O)c2ccccc2C3)C water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=indoprofen&solvent=water Ic1c(c(I)c(N)c(I)c1)CC(C(=O)O)CC.O 2012-05-16T19:28:46Z 4310 iopanoic acid Ic1c(c(I)c(N)c(I)c1)CC(C(=O)O)CC water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=iopanoic+acid&solvent=water O=C(O)\C(=C)CC(=O)O.O 2012-05-16T19:28:46Z 4311 itaconic acid O=C(O)\C(=C)CC(=O)O water O 0.597 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=itaconic+acid&solvent=water CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O.O 2012-05-16T19:28:46Z 4312 ketoprofen CC(c1cccc(c1)C(=O)c2ccccc2)C(=O)O water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=ketoprofen&solvent=water O=C/1c3c(O\C(=C\1)C)c(OC)c2occc2c3OC.O 2012-05-16T19:28:46Z 4313 khellin O=C/1c3c(O\C(=C\1)C)c(OC)c2occc2c3OC water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=khellin&solvent=water O=C(O)[C@@H](N)Cc1cncn1.O 2012-05-16T19:28:46Z 4314 L-histidine O=C(O)[C@@H](N)Cc1cncn1 water O 0.272 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=L-histidine&solvent=water c1ccc(cc1)C[C@@H](C(=O)O)N.O 2012-05-16T19:28:46Z 4315 L-phenylalanine c1ccc(cc1)C[C@@H](C(=O)O)N water O 0.150 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=L-phenylalanine&solvent=water O=C1/N=C(/N)\C=C/N1[C@@H]2O[C@@H](SC2)CO.O 2012-05-16T19:28:46Z 4316 lamivudine O=C1/N=C(/N)\C=C/N1[C@@H]2O[C@@H](SC2)CO water O 0.050 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lamivudine&solvent=water Clc2c(Cl)c(c1nnc(nc1N)N)ccc2.O 2012-05-16T19:28:46Z 4317 lamotrigine Clc2c(Cl)c(c1nnc(nc1N)N)ccc2 water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lamotrigine&solvent=water Clc1ccc(NC(=O)N(OC)C)cc1Cl.O 2012-05-16T19:28:46Z 4318 linuron Clc1ccc(NC(=O)N(OC)C)cc1Cl water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=linuron&solvent=water Clc3ccccc3C/2=N/C(O)C(=O)Nc1c\2cc(Cl)cc1.O 2012-05-16T19:28:46Z 4319 lorazepam Clc3ccccc3C/2=N/C(O)C(=O)Nc1c\2cc(Cl)cc1 water O 0.034 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=lorazepam&solvent=water O=C(O)C(O)c1ccccc1.O 2012-05-16T19:28:46Z 4320 mandelic acid O=C(O)C(O)c1ccccc1 water O 1.124 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=mandelic+acid&solvent=water O=C(O)c2c(Nc1cccc(c1C)C)cccc2.O 2012-05-16T19:28:46Z 4321 mefenamic acid O=C(O)c2c(Nc1cccc(c1C)C)cccc2 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=mefenamic+acid&solvent=water Cc1cnc(s1)NC(=O)C\3=C(/O)c2ccccc2S(=O)(=O)N/3C.O 2012-05-16T19:28:46Z 4322 meloxicam Cc1cnc(s1)NC(=O)C\3=C(/O)c2ccccc2S(=O)(=O)N/3C water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=meloxicam&solvent=water O=C1N(C(=O)NC(=O)C1(CC)CC)C.O 2012-05-16T19:28:46Z 4323 metharbital O=C1N(C(=O)NC(=O)C1(CC)CC)C water O 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=metharbital&solvent=water O=C(OCC(O)COc1ccccc1OC)N.O 2012-05-16T19:28:46Z 4324 methocarbamol O=C(OCC(O)COc1ccccc1OC)N water O 0.048 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methocarbamol&solvent=water O=C(Nc1ccc(cc1)C(=O)OC)C.O 2012-05-16T19:28:46Z 4325 methyl 4-acetamidobenzoate O=C(Nc1ccc(cc1)C(=O)OC)C water O 0.015 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-acetamidobenzoate&solvent=water COC(=O)c1ccc(cc1)O.O 2012-05-16T19:28:46Z 4326 methyl 4-hydroxybenzoate COC(=O)c1ccc(cc1)O water O 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+4-hydroxybenzoate&solvent=water O=C(OC)c1ccc(N(C)C)cc1.O 2012-05-16T19:28:46Z 4327 methyl p-(dimethylamino)benzoate O=C(OC)c1ccc(N(C)C)cc1 water O 0.008 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-(dimethylamino)benzoate&solvent=water O=C(Oc1ccc(cc1)C(=O)OC)C.O 2012-05-16T19:28:46Z 4328 methyl p-acetoxybenzoate O=C(Oc1ccc(cc1)C(=O)OC)C water O 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-acetoxybenzoate&solvent=water O=C(OC)c1ccc(N)cc1.O 2012-05-16T19:28:46Z 4329 methyl p-aminobenzoate O=C(OC)c1ccc(N)cc1 water O 0.100 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-aminobenzoate&solvent=water O=C(OC)c1ccc(OC)cc1.O 2012-05-16T19:28:46Z 4330 methyl p-methoxybenzoate O=C(OC)c1ccc(OC)cc1 water O 0.038 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methyl+p-methoxybenzoate&solvent=water COC(=O)c1ccc(cc1)O.O 2012-05-16T19:28:46Z 4331 methylparaben COC(=O)c1ccc(cc1)O water O 0.009 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=methylparaben&solvent=water [O-][N+](=O)c1cnc(n1CCO)C.O 2012-05-16T19:28:46Z 4332 metronidazole [O-][N+](=O)c1cnc(n1CCO)C water O 0.074 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=metronidazole&solvent=water N\C1=C\C(=N/C(=N)N1O)N2CCCCC2.O 2012-05-16T19:28:46Z 4333 minoxidil N\C1=C\C(=N/C(=N)N1O)N2CCCCC2 water O 0.012 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=minoxidil&solvent=water Clc1ccc(NC(=O)N(C)C)cc1.O 2012-05-16T19:28:46Z 4334 monuron Clc1ccc(NC(=O)N(C)C)cc1 water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=monuron&solvent=water C1(=CC=CC=C1)N(O)C(C2=CC(=C(C=C2)C)[N+](=O)[O-])=O.O 2012-05-16T19:28:46Z 4335 N-phenyl-4-methyl-3-nitrobenzohydroxamic acid C1(=CC=CC=C1)N(O)C(C2=CC(=C(C=C2)C)[N+](=O)[O-])=O water O 0.021 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenyl-4-methyl-3-nitrobenzohydroxamic+acid&solvent=water [O-][N+](=O)c2ccc(C(=O)N(O)c1ccccc1)cc2.O 2012-05-16T19:28:46Z 4336 N-phenyl-4-nitrobenzohydroxamic acid [O-][N+](=O)c2ccc(C(=O)N(O)c1ccccc1)cc2 water O 0.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenyl-4-nitrobenzohydroxamic+acid&solvent=water O=C(Nc1ccccc1)C.O 2012-05-16T19:28:46Z 4337 N-phenylacetamide O=C(Nc1ccccc1)C water O 0.064 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenylacetamide&solvent=water O=C(N(O)c1ccccc1)c2ccccc2.O 2012-05-16T19:28:46Z 4338 N-phenylbenzohydroxamic acid O=C(N(O)c1ccccc1)c2ccccc2 water O 0.024 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=N-phenylbenzohydroxamic+acid&solvent=water OC(CNC(C)(C)C)COc1cccc2c1C[C@H](O)[C@H](O)C2.O 2012-05-16T19:28:46Z 4339 nadolol OC(CNC(C)(C)C)COc1cccc2c1C[C@H](O)[C@H](O)C2 water O 0.098 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nadolol&solvent=water O=C\2c1c(nc(cc1)C)N(/C=C/2C(=O)O)CC.O 2012-05-16T19:28:46Z 4340 nalidixic acid O=C\2c1c(nc(cc1)C)N(/C=C/2C(=O)O)CC water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nalidixic+acid&solvent=water c1ccc2ccccc2c1.O 2012-05-16T19:28:46Z 4341 naphthalene c1ccc2ccccc2c1 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naphthalene&solvent=water O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C.O 2012-05-16T19:28:46Z 4342 naproxen O=C(O)[C@H](c1ccc2c(c1)ccc(OC)c2)C water O 0.004 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=naproxen&solvent=water O=C(O)c1cccnc1.O 2012-05-16T19:28:46Z 4343 nicotinic acid O=C(O)c1cccnc1 water O 0.242 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nicotinic+acid&solvent=water FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O.O 2012-05-16T19:28:46Z 4344 niflumic acid FC(F)(F)c1cc(ccc1)Nc2ncccc2C(=O)O water O 0.000 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=niflumic+acid&solvent=water O=[N+]([O-])c2oc(/C=N/N1C(=O)NC(=O)C1)cc2.O 2012-05-16T19:28:46Z 4345 nitrofurantoin O=[N+]([O-])c2oc(/C=N/N1C(=O)NC(=O)C1)cc2 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=nitrofurantoin&solvent=water O=C4\C=C3/[C@@H]([C@H]2CC[C@]1([C@@H](CC[C@]1(C#C)O)[C@@H]2CC3)C)CC4.O 2012-05-16T19:28:46Z 4346 norethisterone O=C4\C=C3/[C@@H]([C@H]2CC[C@]1([C@@H](CC[C@]1(C#C)O)[C@@H]2CC3)C)CC4 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=norethisterone&solvent=water O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC.O 2012-05-16T19:28:46Z 4347 norfloxacin O=C(O)\C2=C\N(c1cc(c(F)cc1C2=O)N3CCNCC3)CC water O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=norfloxacin&solvent=water O=C1c3c(N(\C=C1\C(=O)O)CC)cc2OCOc2c3.O 2012-05-16T19:28:46Z 4348 oxolinic acid O=C1c3c(N(\C=C1\C(=O)O)CC)cc2OCOc2c3 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=oxolinic+acid&solvent=water O=C(O)c1ccc(cc1O)N.O 2012-05-16T19:28:46Z 4349 p-aminosalicylic acid O=C(O)c1ccc(cc1O)N water O 0.010 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=p-aminosalicylic+acid&solvent=water CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)O)(C)C.O 2012-05-16T19:28:46Z 4350 paclitaxel CC1=C2[C@@]([C@]([C@H]([C@@H]3[C@]4([C@H](OC4)C[C@@H]([C@]3(C(=O)[C@@H]2OC(=O)C)C)O)OC(=O)C)OC(=O)c5ccccc5)(C[C@@H]1OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)O)(C)C water O 0.001 multiple n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=paclitaxel&solvent=water O=C1NC(=O)NC(=O)C1(C(C)CCC)CC.O 2012-05-16T19:28:46Z 4351 pentobarbital O=C1NC(=O)NC(=O)C1(C(C)CCC)CC water O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pentobarbital&solvent=water Clc2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(CCO)CC4.O 2012-05-16T19:28:46Z 4352 perphenazine Clc2cc1N(c3c(Sc1cc2)cccc3)CCCN4CCN(CCO)CC4 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=perphenazine&solvent=water O=C(Nc1ccc(OCC)cc1)C.O 2012-05-16T19:28:46Z 4353 phenacetin O=C(Nc1ccc(OCC)cc1)C water O 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenacetin&solvent=water c3cc2ccc1ccccc1c2cc3.O 2012-05-16T19:28:46Z 4354 phenanthrene c3cc2ccc1ccccc1c2cc3 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenanthrene&solvent=water O=C1NC(=O)NC(=O)C1(c2ccccc2)CC.O 2012-05-16T19:28:46Z 4355 phenobarbital O=C1NC(=O)NC(=O)C1(c2ccccc2)CC water O 0.005 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenobarbital&solvent=water O=C1OC(c2ccccc12)(c3ccc(O)cc3)c4ccc(O)cc4.O 2012-05-16T19:28:46Z 4356 phenolphthalein O=C1OC(c2ccccc12)(c3ccc(O)cc3)c4ccc(O)cc4 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenolphthalein&solvent=water c1ccc2c(c1)Nc3ccccc3S2.O 2012-05-16T19:28:46Z 4357 phenothiazine c1ccc2c(c1)Nc3ccccc3S2 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenothiazine&solvent=water O=C(Oc1ccccc1)c2ccccc2O.O 2012-05-16T19:28:46Z 4358 phenyl salicylate O=C(Oc1ccccc1)c2ccccc2O water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenyl+salicylate&solvent=water O=C(O)Cc1ccccc1.O 2012-05-16T19:28:46Z 4359 phenylacetic acid O=C(O)Cc1ccccc1 water O 0.130 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylacetic+acid&solvent=water O=C(O)C(N)Cc1ccccc1.O 2012-05-16T19:28:46Z 4360 phenylalanine O=C(O)C(N)Cc1ccccc1 water O 0.180 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylalanine&solvent=water O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3.O 2012-05-16T19:28:46Z 4361 phenylbutazone O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=phenylbutazone&solvent=water O=Cc1ccc2OCOc2c1.O 2012-05-16T19:28:46Z 4362 piperonal O=Cc1ccc2OCOc2c1 water O 0.023 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=piperonal&solvent=water O=C4N2C(c1c(cccc1)CC2)CN(C(=O)C3CCCCC3)C4.O 2012-05-16T19:28:46Z 4363 praziquantel O=C4N2C(c1c(cccc1)CC2)CN(C(=O)C3CCCCC3)C4 water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=praziquantel&solvent=water O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C.O 2012-05-16T19:28:46Z 4364 prednisolone O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4[C@@H](O)C[C@@]3([C@@](O)(C(=O)CO)CC[C@@H]23)C)C water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=prednisolone&solvent=water O=C1NCNC(=O)C1(c2ccccc2)CC.O 2012-05-16T19:28:46Z 4365 primidone O=C1NCNC(=O)C1(c2ccccc2)CC water O 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=primidone&solvent=water O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)C)CC[C@H]3[C@@H]1CC2)C)(C)CC4.O 2012-05-16T19:28:46Z 4366 progesterone O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](C(=O)C)CC[C@H]3[C@@H]1CC2)C)(C)CC4 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=progesterone&solvent=water O=C(OCCC)c1ccc(O)cc1.O 2012-05-16T19:28:46Z 4367 propylparaben O=C(OCCC)c1ccc(O)cc1 water O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=propylparaben&solvent=water O=C2c3c(O/C=C2/c1ccc(O)cc1)c(c(O)cc3)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO.O 2012-05-16T19:28:46Z 4368 puerarin O=C2c3c(O/C=C2/c1ccc(O)cc1)c(c(O)cc3)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)CO water O 0.011 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=puerarin&solvent=water O=C(N)c1nccnc1.O 2012-05-16T19:28:46Z 4369 pyrazinamide O=C(N)c1nccnc1 water O 0.272 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrazinamide&solvent=water c1cc2ccc3cccc4c3c2c(c1)cc4.O 2012-05-16T19:28:46Z 4370 pyrene c1cc2ccc3cccc4c3c2c(c1)cc4 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=pyrene&solvent=water O(c4cc1c(nccc1[C@H](O)[C@@H]2N3CC[C@@H](C2)[C@@H](/C=C)C3)cc4)C.O 2012-05-16T19:28:46Z 4371 quinidine O(c4cc1c(nccc1[C@H](O)[C@@H]2N3CC[C@@H](C2)[C@@H](/C=C)C3)cc4)C water O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=quinidine&solvent=water COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@H]4CCN3C[C@@H]4C=C)O.O 2012-05-16T19:28:46Z 4372 quinine COc1ccc2c(c1)c(ccn2)[C@H]([C@@H]3C[C@H]4CCN3C[C@@H]4C=C)O water O 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=quinine&solvent=water Oc2cc(\C=C\c1ccc(O)cc1)cc(O)c2.O 2012-05-16T19:28:46Z 4373 resveratrol Oc2cc(\C=C\c1ccc(O)cc1)cc(O)c2 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=resveratrol&solvent=water O=C(c1ccccc1O)N.O 2012-05-16T19:28:46Z 4374 salicylamide O=C(c1ccccc1O)N water O 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylamide&solvent=water O=C(O)c1ccccc1O.O 2012-05-16T19:28:46Z 4375 salicylic acid O=C(O)c1ccccc1O water O 0.013 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=salicylic+acid&solvent=water O=C(O)\C=C\c1cc(OC)c(O)c(OC)c1.O 2012-05-16T19:28:46Z 4376 sinapic acid O=C(O)\C=C\c1cc(OC)c(O)c(OC)c1 water O 0.001 carboxylic acid n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sinapic+acid&solvent=water O=C5O[C@@]4([C@@]3([C@H]([C@@H]2[C@H](SC(=O)C)C/C1=C/C(=O)CC[C@]1(C)[C@H]2CC3)CC4)C)CC5.O 2012-05-16T19:28:46Z 4377 spironolactone O=C5O[C@@]4([C@@]3([C@H]([C@@H]2[C@H](SC(=O)C)C/C1=C/C(=O)CC[C@]1(C)[C@H]2CC3)CC4)C)CC5 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=spironolactone&solvent=water O=C7N2c1ccccc1C64C2C3C(OC/C=C5\C3CC6N(CC4)C5)C7.O 2012-05-16T19:28:46Z 4378 strychnine O=C7N2c1ccccc1C64C2C3C(OC/C=C5\C3CC6N(CC4)C5)C7 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=strychnine&solvent=water O=S(=O)(c1ccc(N)cc1)NC(=O)C.O 2012-05-16T19:28:46Z 4379 sulfacetamide O=S(=O)(c1ccc(N)cc1)NC(=O)C water O 0.029 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfacetamide&solvent=water O=S(=O)(Nc1ncccn1)c2ccc(N)cc2.O 2012-05-16T19:28:46Z 4380 sulfadiazine O=S(=O)(Nc1ncccn1)c2ccc(N)cc2 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfadiazine&solvent=water O=S(=O)(Nc1nc(ccn1)C)c2ccc(N)cc2.O 2012-05-16T19:28:46Z 4381 sulfamerazine O=S(=O)(Nc1nc(ccn1)C)c2ccc(N)cc2 water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamerazine&solvent=water O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(N)cc2.O 2012-05-16T19:28:46Z 4382 sulfamethazine O=S(=O)(Nc1nc(cc(n1)C)C)c2ccc(N)cc2 water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethazine&solvent=water O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2.O 2012-05-16T19:28:46Z 4383 sulfamethoxazole O=S(=O)(Nc1noc(c1)C)c2ccc(N)cc2 water O 0.001 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfamethoxazole&solvent=water O=S(=O)(c1ccc(N)cc1)N.O 2012-05-16T19:28:46Z 4384 sulfanilamide O=S(=O)(c1ccc(N)cc1)N water O 0.038 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfanilamide&solvent=water O=S(=O)(Nc1nccs1)c2ccc(N)cc2.O 2012-05-16T19:28:46Z 4385 sulfathiazole O=S(=O)(Nc1nccs1)c2ccc(N)cc2 water O 0.007 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulfathiazole&solvent=water O=S(c1ccc(cc1)\C=C3/c2ccc(F)cc2\C(=C3C)CC(=O)O)C.O 2012-05-16T19:28:46Z 4386 sulindac O=S(c1ccc(cc1)\C=C3/c2ccc(F)cc2\C(=C3C)CC(=O)O)C water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulindac&solvent=water O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2.O 2012-05-16T19:28:46Z 4387 sulpiride O=S(=O)(N)c1cc(c(OC)cc1)C(=O)NCC2N(CC)CCC2 water O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=sulpiride&solvent=water O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C.O 2012-05-16T19:28:46Z 4388 tenoxicam O=C\2c1sccc1S(=O)(=O)N(C/2=C(/O)Nc3ncccc3)C water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tenoxicam&solvent=water OC(c1ccccc1)(c2ccccc2)C4CCN(CCCC(O)c3ccc(cc3)C(C)(C)C)CC4.O 2012-05-16T19:28:46Z 4389 terfenadine OC(c1ccccc1)(c2ccccc2)C4CCN(CCCC(O)c3ccc(cc3)C(C)(C)C)CC4 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=terfenadine&solvent=water CCN(CC)C(=S)SSC(=S)N(CC)CC.O 2012-05-16T19:28:46Z 4390 tetraethylthiuram disulfide CCN(CC)C(=S)SSC(=S)N(CC)CC water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraethylthiuram+disulfide&solvent=water c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4.O 2012-05-16T19:28:46Z 4391 tetraphenylmethane c1c(cccc1)C(c2ccccc2)(c3ccccc3)c4ccccc4 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=tetraphenylmethane&solvent=water Cn1cnc2c1c(=O)[nH]c(=O)n2C.O 2012-05-16T19:28:46Z 4392 theobromine Cn1cnc2c1c(=O)[nH]c(=O)n2C water O 0.002 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=theobromine&solvent=water Cn1c2c(c(=O)n(c1=O)C)[nH]cn2.O 2012-05-16T19:28:46Z 4393 theophylline Cn1c2c(c(=O)n(c1=O)C)[nH]cn2 water O 0.064 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=theophylline&solvent=water ClC(Cl)C(=O)N[C@@H]([C@H](O)c1ccc(cc1)S(=O)(=O)C)CO.O 2012-05-16T19:28:46Z 4394 thiamphenicol ClC(Cl)C(=O)N[C@@H]([C@H](O)c1ccc(cc1)S(=O)(=O)C)CO water O 0.014 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiamphenicol&solvent=water O=C1c3c(Sc2c1cccc2)cccc3.O 2012-05-16T19:28:46Z 4395 thiaxanthone O=C1c3c(Sc2c1cccc2)cccc3 water O 0.000 ketone n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thiaxanthone&solvent=water Cc1c[nH]c(=O)[nH]c1=O.O 2012-05-16T19:28:46Z 4396 thymine Cc1c[nH]c(=O)[nH]c1=O water O 0.027 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=thymine&solvent=water c1ccc(cc1)/C=C/c2ccccc2.O 2012-05-16T19:28:46Z 4397 trans-stilbene c1ccc(cc1)/C=C/c2ccccc2 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trans-stilbene&solvent=water O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3O)C)C.O 2012-05-16T19:28:46Z 4398 triamcinolone O=C(CO)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(\C(=C/C(=O)\C=C\1)CC[C@H]4[C@@H]2C[C@H]3O)C)C water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triamcinolone&solvent=water n1c3c(nc(c1c2ccccc2)N)nc(nc3N)N.O 2012-05-16T19:28:46Z 4399 triamterene n1c3c(nc(c1c2ccccc2)N)nc(nc3N)N water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=triamterene&solvent=water COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N.O 2012-05-16T19:28:46Z 4400 trimethoprim COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N water O 0.004 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=trimethoprim&solvent=water c1c[nH]c(=O)[nH]c1=O.O 2012-05-16T19:28:46Z 4401 uracil c1c[nH]c(=O)[nH]c1=O water O 0.016 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=uracil&solvent=water O=C1\C2=C(/NC(=O)N1)NC(=O)N2.O 2012-05-16T19:28:46Z 4402 uric acid O=C1\C2=C(/NC(=O)N1)NC(=O)N2 water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=uric+acid&solvent=water Oc1ccc(cc1OC)C=O.O 2012-05-16T19:28:46Z 4403 vanillin Oc1ccc(cc1OC)C=O water O 0.070 aldehyde n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=vanillin&solvent=water COc1cc(ccc1OC)C=O.O 2012-05-16T19:28:46Z 4404 veratraldehyde COc1cc(ccc1OC)C=O water O 0.070 aldehyde http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=veratraldehyde&solvent=water c1[nH]c2c(n1)nc(nc2O)O.O 2012-05-16T19:28:46Z 4405 xanthine c1[nH]c2c(n1)nc(nc2O)O water O 0.000 non-Ugi related n http://old.oru.edu/cccda/sl/solubility/ugidata.php?solute=xanthine&solvent=water