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10967/195 - QDB Compounds

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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)]

ID Name pEC50 Details
A 2-tert-butylphenol 2.06 View
B 2-nitroaniline 0.5 View
C 4-phenylphenol 1.85 View
D 2-aminophenol 2.86 View
E 2,5-diaminotoluene 1.79 View
F 2-fluoroaniline i 0.51 View
G 3-fluoroaniline 0.37 View
H 2,4,6-trichlorophenylhydrazine 3.4 View
I N,N-diethylaniline 1.73 View
J 4-nitroaniline 0.51 View
Tab2_1 Guanidine, N,N'-diphenyl- 1.44 View
Tab2_2 Benzenamine, N-ethyl- 0.57 View
Tab2_3 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea 3.82 View
Tab2_4 Benzenamine, 4,4'-methylenebis- 1.22 View
Tab2_5 Benzenamine, 4,4'-oxybis- 0.85 View
Tab2_6 1,4-Benzenediamine, N,N'-bis(1-methylpropyl)- 2.37 View
Tab2_7 Benzenamine, 4-methoxy- 0.98 View
Tab2_8 Phenol, 2,4-dimethyl- 1.1 View
Tab2_9 Phenol, 4-bromo- 1.27 View
Tab2_10 Phenol, 4-methyl- 0.32 View
Tab2_11 Benzenamine, 4-chloro- 1.53 View
Tab2_12 Phenol, 4-chloro- 1.11 View
Tab2_13 Benzenamine, 4-methyl- 0.65 View
Tab2_14 1,4-Benzenediamine 2.78 View
Tab2_15 Benzenamine, 3-chloro- 0.83 View
Tab2_16 1,3-Benzenediamine 0.56 View
Tab2_17 Benzenamine, 3,5-dimethyl- 0.62 View
Tab2_18 Phenol -0.23 View
Tab2_19 Phenol, 2,4,6-tribromo- 2.24 View
Tab2_20 Phenol, 4-amino-2-nitro- 1.49 View
Tab2_21 1,1'-Biphenyl-4,4'-diamine, 3,3'-dimethyl- 1.53 View
Tab2_22 Phenol, 2,4-dichloro- 1.53 View
Tab2_23 Phenol, 2,4-bis(1,1-dimethylpropyl)- 2.14 View
Tab2_24 Benzenamine, N-phenyl- 2.6 View
Tab2_25 Hydrazine, 1,2-diphenyl- 2.22 View
Tab2_26 Phenol, 4-amino- 3.04 View
Tab2_27 Hydroquinone 3.32 View
Tab2_28 Methanone, (2-hydroxy-4-methoxyphenyl)phenyl- 2.53 View
Tab2_29 Sodium 2-phenylphenol i 1.67 View
Tab2_30 2-Naphthalenol 1.84 View
Tab2_31 8-Quinolinol 2.45 View
Tab2_32 Phenol, 4-pentyl- 1.87 View
Tab2_33 Benzenamine, 3-nitro- 0.51 View
Tab2_34 Phenol, 4-(1-methylpropyl)- 1.3 View
Tab2_35 Phenol, 4-octyl- 3.17 View
Tab2_36 Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl- 1.4 View
Tab2_37 Benzoic acid, 3,5-bis(1,1-dimethylethyl)-2-hydroxy- 1.57 View
Tab2_38 Phenol, 2-(1,1-dimethylethyl)-6-methyl- 1.42 View
Tab2_39 1,5-Diaminonaphthalene 1.94 View
Tab2_40 Phenol, 2-(1,1-dimethylethyl)-4-methyl- 1.96 View
Tab2_41 C.I. Basic Yellow 2 i 2.9 View
Tab2_42 Butylated hydroxyanisole i 1.54 View
Tab2_43 3-Amino-4-chlorobenzoic acid 1.19 View
Tab2_44 2,3,4,4'-Tetrahydroxybenzophenone 2.66 View
Tab2_45 4-(1-Methylvinyl)phenol 1.4 View
Tab2_46 3-Pyridinamine 2.11 View
Tab2_47 1,8-Naphthalenediamine 2.52 View
Tab2_48 4-Pyridinamine 0.5 View
Tab2_49 α-Aminopyridine 0.89 View
Tab2_50 Benzenamine, 2,5-diethoxy-4-(4-morpholinyl)- 1.56 View
Tab2_51 2,6-Di-sec-butylphenol 2.27 View
Tab2_52 Malachite green i 2.52 View
Tab2_53 Phenol, 2,6-dimethyl- 0.43 View
Tab2_54 Phenol, 2,3,4,6-tetrachloro- 2.04 View
Tab2_55 Phenol, 3-amino- -0.17 View
Tab2_56 Phenol, 4-(1-methyl-1-phenylethyl)- 2.18 View
Tab2_57 Benzenamine, 4-(phenylazo)- 1.83 View
Tab2_58 Phenol, 2,4-dibromo- 2.36 View
Tab2_59 Phenol, 4,4'-methylenebis- 1.1 View
Tab2_60 Benzenamine, 4-methyl-N-(4-methylphenyl)- 3.15 View
Tab2_61 Benzenamine -0.07 View
Tab2_62 Benzenamine, 2,4,6-trichloro- 1.73 View
Tab2_63 Benzenesulfonamide, 4-amino- 0.87 View
Tab2_64 Benzoic acid, 2-hydroxy- 0.33 View
Tab2_65 Phenol, 4,4'-(1-methylethylidene)bis- 1.68 View
Tab2_66 Phenol, 4,4'-sulfonylbis- 0.59 View
Tab2_67 Benzenamine, 2,3-dimethyl- 0.47 View
Tab2_68 Phenol, pentachloro- 2.49 View
Tab2_69 Benzenamine, 2,4,6-trimethyl- 0.7 View
Tab2_70 Phenol, 2-(1,1-dimethylethyl)-5-methyl- 1.94 View
Tab2_71 Phenol, 2-nitro- 1.37 View
Tab2_72 Phenol, 2-(1-methylpropyl)-4,6-dinitro- 2.23 View
Tab2_73 Benzenamine, 4-chloro-2-nitro- 1.31 View
Tab2_74 Phenol, 4-chloro-2-nitro- 1.45 View
Tab2_75 Phenol, 2-(1-methylpropyl)- 1.34 View
Tab2_76 Phenol, 5-methyl-2-(1-methylethyl)- 1.03 View
Tab2_77 Benzaldehyde, 2-hydroxy- 1.41 View
Tab2_78 Phenol, 2-methoxy- -0.34 View
Tab2_79 1-Naphthalenamine, N-phenyl- 3.81 View
Tab2_80 Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl- 2.49 View
Tab2_81 2-Naphthalenamine 2.46 View
Tab2_82 1,3,5-Triazine-2,4-diamine, 6-phenyl- 0.42 View
Tab2_83 1,1'-Biphenyl-4,4'-diamine, 3,3'-dichloro- 2.26 View
Tab2_84 2-Naphthalenecarboxylic acid, 3-hydroxy- 0.47 View
Tab2_85 10H-Phenothiazine 2.43 View
Tab2_86 1,1'-Biphenyl-4,4'-diol 1.51 View
Tab2_87 Butanamide, N-(2-methylphenyl)-3-oxo- -0.59 View
Tab2_88 Benzenamine, 2-chloro- 0.66 View
Tab2_89 Benzenamine, 2-methyl- -0.05 View
Tab2_90 1,2-Benzenediamine 2.12 View
Tab2_91 Benzenamine, 3,4-dimethyl- 1.15 View
Tab2_92 Benzenamine, 3,4-dichloro- 1.4 View
Tab2_93 2,5-Xylidene 0.61 View
Tab2_94 1,3-Benzenediamine, 4-methyl- 0.83 View
Tab2_95 2-Chloro-5-methylaniline 1.46 View
Tab2_96 Benzenamine, 2,5-dichloro- 1.23 View
Tab2_97 Phenol, 2,5-dimethyl- 0.62 View
Tab2_98 Phenol, 2,4,5-trichloro- 2.12 View
Tab2_99 Phenol, 2,4-bis(1,1-dimethylethyl)- 2.31 View
Tab2_100 Benzenamine, 4-methoxy-2-nitro- 1.15 View
Tab2_101 Guanidine, N,N'-bis(2-methylphenyl)- 1.44 View
Tab2_102 Benzoic acid, 4-hydroxy-, methyl ester 0.43 View
Tab2_103 4-Isopropylaniline 0.88 View
Tab2_104 Benzoic acid, 4-hydroxy- 0.1 View

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.