10967/195 - QDB Compounds

QsarDB Repository

Furuhama, A.; Hasunuma, K.; Aoki, Y. Interspecies quantitative structure–activity–activity relationships (QSAARs) for prediction of acute aquatic toxicity of aromatic amines and phenols. SAR QSAR Environ. Res. 2015, 26, 301–323.

114 compounds | Property pEC50: 72-h acute algae toxicity as log(1/EC50) [-log(mmol/L)]

IDNamepEC50Details
A2-tert-butylphenol2.06View
B2-nitroaniline0.5View
C4-phenylphenol1.85View
D2-aminophenol2.86View
E2,5-diaminotoluene1.79View
F2-fluoroaniline i0.51View
G3-fluoroaniline0.37View
H2,4,6-trichlorophenylhydrazine3.4View
IN,N-diethylaniline1.73View
J4-nitroaniline0.51View
Tab2_1Guanidine, N,N'-diphenyl-1.44View
Tab2_2Benzenamine, N-ethyl-0.57View
Tab2_31-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea3.82View
Tab2_4Benzenamine, 4,4'-methylenebis-1.22View
Tab2_5Benzenamine, 4,4'-oxybis-0.85View
Tab2_61,4-Benzenediamine, N,N'-bis(1-methylpropyl)-2.37View
Tab2_7Benzenamine, 4-methoxy-0.98View
Tab2_8Phenol, 2,4-dimethyl-1.1View
Tab2_9Phenol, 4-bromo-1.27View
Tab2_10Phenol, 4-methyl-0.32View
Tab2_11Benzenamine, 4-chloro-1.53View
Tab2_12Phenol, 4-chloro-1.11View
Tab2_13Benzenamine, 4-methyl-0.65View
Tab2_141,4-Benzenediamine2.78View
Tab2_15Benzenamine, 3-chloro-0.83View
Tab2_161,3-Benzenediamine0.56View
Tab2_17Benzenamine, 3,5-dimethyl-0.62View
Tab2_18Phenol-0.23View
Tab2_19Phenol, 2,4,6-tribromo-2.24View
Tab2_20Phenol, 4-amino-2-nitro-1.49View
Tab2_211,1'-Biphenyl-4,4'-diamine, 3,3'-dimethyl-1.53View
Tab2_22Phenol, 2,4-dichloro-1.53View
Tab2_23Phenol, 2,4-bis(1,1-dimethylpropyl)-2.14View
Tab2_24Benzenamine, N-phenyl-2.6View
Tab2_25Hydrazine, 1,2-diphenyl-2.22View
Tab2_26Phenol, 4-amino-3.04View
Tab2_27Hydroquinone3.32View
Tab2_28Methanone, (2-hydroxy-4-methoxyphenyl)phenyl-2.53View
Tab2_29Sodium 2-phenylphenol i1.67View
Tab2_302-Naphthalenol1.84View
Tab2_318-Quinolinol2.45View
Tab2_32Phenol, 4-pentyl-1.87View
Tab2_33Benzenamine, 3-nitro-0.51View
Tab2_34Phenol, 4-(1-methylpropyl)-1.3View
Tab2_35Phenol, 4-octyl-3.17View
Tab2_36Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-1.4View
Tab2_37Benzoic acid, 3,5-bis(1,1-dimethylethyl)-2-hydroxy-1.57View
Tab2_38Phenol, 2-(1,1-dimethylethyl)-6-methyl-1.42View
Tab2_391,5-Diaminonaphthalene1.94View
Tab2_40Phenol, 2-(1,1-dimethylethyl)-4-methyl-1.96View
Tab2_41C.I. Basic Yellow 2 i2.9View
Tab2_42Butylated hydroxyanisole i1.54View
Tab2_433-Amino-4-chlorobenzoic acid1.19View
Tab2_442,3,4,4'-Tetrahydroxybenzophenone2.66View
Tab2_454-(1-Methylvinyl)phenol1.4View
Tab2_463-Pyridinamine2.11View
Tab2_471,8-Naphthalenediamine2.52View
Tab2_484-Pyridinamine0.5View
Tab2_49α-Aminopyridine0.89View
Tab2_50Benzenamine, 2,5-diethoxy-4-(4-morpholinyl)-1.56View
Tab2_512,6-Di-sec-butylphenol2.27View
Tab2_52Malachite green i2.52View
Tab2_53Phenol, 2,6-dimethyl-0.43View
Tab2_54Phenol, 2,3,4,6-tetrachloro-2.04View
Tab2_55Phenol, 3-amino--0.17View
Tab2_56Phenol, 4-(1-methyl-1-phenylethyl)-2.18View
Tab2_57Benzenamine, 4-(phenylazo)-1.83View
Tab2_58Phenol, 2,4-dibromo-2.36View
Tab2_59Phenol, 4,4'-methylenebis-1.1View
Tab2_60Benzenamine, 4-methyl-N-(4-methylphenyl)-3.15View
Tab2_61Benzenamine-0.07View
Tab2_62Benzenamine, 2,4,6-trichloro-1.73View
Tab2_63Benzenesulfonamide, 4-amino-0.87View
Tab2_64Benzoic acid, 2-hydroxy-0.33View
Tab2_65Phenol, 4,4'-(1-methylethylidene)bis-1.68View
Tab2_66Phenol, 4,4'-sulfonylbis-0.59View
Tab2_67Benzenamine, 2,3-dimethyl-0.47View
Tab2_68Phenol, pentachloro-2.49View
Tab2_69Benzenamine, 2,4,6-trimethyl-0.7View
Tab2_70Phenol, 2-(1,1-dimethylethyl)-5-methyl-1.94View
Tab2_71Phenol, 2-nitro-1.37View
Tab2_72Phenol, 2-(1-methylpropyl)-4,6-dinitro-2.23View
Tab2_73Benzenamine, 4-chloro-2-nitro-1.31View
Tab2_74Phenol, 4-chloro-2-nitro-1.45View
Tab2_75Phenol, 2-(1-methylpropyl)-1.34View
Tab2_76Phenol, 5-methyl-2-(1-methylethyl)-1.03View
Tab2_77Benzaldehyde, 2-hydroxy-1.41View
Tab2_78Phenol, 2-methoxy--0.34View
Tab2_791-Naphthalenamine, N-phenyl-3.81View
Tab2_80Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl-2.49View
Tab2_812-Naphthalenamine2.46View
Tab2_821,3,5-Triazine-2,4-diamine, 6-phenyl-0.42View
Tab2_831,1'-Biphenyl-4,4'-diamine, 3,3'-dichloro-2.26View
Tab2_842-Naphthalenecarboxylic acid, 3-hydroxy-0.47View
Tab2_8510H-Phenothiazine2.43View
Tab2_861,1'-Biphenyl-4,4'-diol1.51View
Tab2_87Butanamide, N-(2-methylphenyl)-3-oxo--0.59View
Tab2_88Benzenamine, 2-chloro-0.66View
Tab2_89Benzenamine, 2-methyl--0.05View
Tab2_901,2-Benzenediamine2.12View
Tab2_91Benzenamine, 3,4-dimethyl-1.15View
Tab2_92Benzenamine, 3,4-dichloro-1.4View
Tab2_932,5-Xylidene0.61View
Tab2_941,3-Benzenediamine, 4-methyl-0.83View
Tab2_952-Chloro-5-methylaniline1.46View
Tab2_96Benzenamine, 2,5-dichloro-1.23View
Tab2_97Phenol, 2,5-dimethyl-0.62View
Tab2_98Phenol, 2,4,5-trichloro-2.12View
Tab2_99Phenol, 2,4-bis(1,1-dimethylethyl)-2.31View
Tab2_100Benzenamine, 4-methoxy-2-nitro-1.15View
Tab2_101Guanidine, N,N'-bis(2-methylphenyl)-1.44View
Tab2_102Benzoic acid, 4-hydroxy-, methyl ester0.43View
Tab2_1034-Isopropylaniline0.88View
Tab2_104Benzoic acid, 4-hydroxy-0.1View

Bibliography

  1. Results of eco-toxicity tests data conducted by Ministry of the Environment in Japan. http://www.env.go.jp/chemi/sesaku/02e.pdf, 2014.