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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.

119 compounds | Property pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]

ID Name pLC50 Details
Tab1_1 Guanidine, N,N'-diphenyl- 1.09 View
Tab1_2 Benzenamine, N-ethyl- 0.18 View
Tab1_3 Acetamide, N-(4-hydroxyphenyl)- -0.73 View
Tab1_4 Benzenamine, N-methyl- 0.27 View
Tab1_5 Hydrazine, phenyl- 3.83 View
Tab1_6 Benzenamine, 4,4'-methylenebis2-chloro- 2.64 View
Tab1_7 Benzenamine, 4,4'-methylenebis- 0.98 View
Tab1_8 1,4-Benzenediamine, N,N'-bis(1-methylpropyl)- 2.77 View
Tab1_9 Phenol, 2,4-dimethyl- 0.88 View
Tab1_10 Phenol, 4-bromo- 1.3 View
Tab1_11 Phenol, 4-methyl- 0.89 View
Tab1_12 Benzenamine, 4-chloro- 1.34 View
Tab1_13 Phenol, 4-chloro- 1.16 View
Tab1_14 Benzenamine, 4-methyl- -0.05 View
Tab1_15 1,4-Benzenediamine 3.21 View
Tab1_16 Benzenamine, 3-chloro- 1.16 View
Tab1_17 Benzenamine, 3,5-dimethyl- 0.55 View
Tab1_18 Phenol 0.58 View
Tab1_19 Phenol, 2,4,6-tribromo- 2.34 View
Tab1_20 Phenol, 4-amino-2-nitro- 0.63 View
Tab1_21 1,1'-Biphenyl-4,4'-diamine, 3,3'-dimethyl- 1.21 View
Tab1_22 Phenol, 2,4-dichloro- 1.68 View
Tab1_23 Phenol, 2,4-bis(1,1-dimethylpropyl)- 2.91 View
Tab1_24 Benzenamine, N-phenyl- 1.41 View
Tab1_25 Hydrazine, 1,2-diphenyl- 3.63 View
Tab1_26 Phenol, 4-amino- 2.07 View
Tab1_27 Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl- 2.3 View
Tab1_28 Methanone, (2-hydroxy-4-methoxyphenyl)phenyl- 1.78 View
Tab1_29 Sodium-o-phenylphenol i 1.44 View
Tab1_30 2-Naphthalenol 1.56 View
Tab1_31 8-Quinolinol 1.76 View
Tab1_32 Phenol, 4-pentyl- 2.07 View
Tab1_33 4-Octylaniline 3.23 View
Tab1_34 Benzenamine, 3-nitro- 0.19 View
Tab1_35 Phenol, 4-(1-methylpropyl)- 1.76 View
Tab1_36 Phenol, 4-octyl- 3.37 View
Tab1_37 Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl- 1.85 View
Tab1_38 Benzoic acid, 3,5-bis(1,1-dimethylethyl)-2-hydroxy- 1.97 View
Tab1_39 2,5-Dichloro-1,4-benzenediamine 0.91 View
Tab1_40 Phenol, 2-(1,1-dimethylethyl)-6-methyl- 1.58 View
Tab1_41 1,5-Diaminonaphthalene 0.97 View
Tab1_42 Butachlor 3.05 View
Tab1_43 Phenol, 2-(1,1-dimethylethyl)-4-methyl- 1.94 View
Tab1_44 C.I. Basic Yellow 2 i 1.65 View
Tab1_45 4,4'-(1,3-Phenylenebis(oxy)bisbenzenamine) 2.19 View
Tab1_46 Butylated hydroxyanisole i 1.49 View
Tab1_47 Phenol, nonyl- i 2.96 View
Tab1_48 2,3,4,4'-Tetrahydroxybenzophenone 0.83 View
Tab1_49 Triclosan 2.64 View
Tab1_50 4-(1-Methylvinyl)phenol 1.16 View
Tab1_51 3-Pyridinamine 1.04 View
Tab1_52 1,8-Naphthalenediamine 1.45 View
Tab1_53 4-Pyridinamine 1.44 View
Tab1_54 alpha-Aminopyridine 0.93 View
Tab1_55 Pretilachlor 2.11 View
Tab1_56 Benzenamine, 2,5-diethoxy-4-(4-morpholinyl)- 1.08 View
Tab1_57 2,6-Di-sec-butylphenol 3.14 View
Tab1_58 Benzenamine, 2,4-dichloro- 1.3 View
Tab1_59 Malachite green i 3.42 View
Tab1_60 Phenol, 2,6-dimethyl- 0.91 View
Tab1_61 Phenol, 2,3,4,6-tetrachloro- 2.62 View
Tab1_62 Phenol, 3-amino- -0.04 View
Tab1_63 Phenol, 4-(1-methyl-1-phenylethyl)- 2.25 View
Tab1_64 Benzenamine, 4-(phenylazo)- 2.75 View
Tab1_65 Phenol, 2,4-dibromo- 1.84 View
Tab1_66 Styrenated phenol i 1.33 View
Tab1_67 Phenol, 4,4'-methylenebis- 1.19 View
Tab1_68 Benzenamine, 4-methyl-N-(4-methylphenyl)- 2.66 View
Tab1_69 Benzenamine 0.54 View
Tab1_70 Benzenamine, 2,4,6-trichloro- 1.57 View
Tab1_71 4,4'-(1,3-dimethylbutylidene)bisphenol 2 View
Tab1_72 Benzoic acid, 2-hydroxy- 0.55 View
Tab1_73 Phenol, 2,4,6-tris(1,1-dimethylethyl)- 3.63 View
Tab1_74 Hydrazine, 1,2-bis(2-chlorophenyl)- 3.4 View
Tab1_75 1,4-Benzenediamine, N-(1,3-dimethylbutyl)-N'-phenyl- 3.97 View
Tab1_76 Phenol, 4,4'-(1-methylethylidene)bis 2,6-dibromo- 1.77 View
Tab1_77 Phenol, 4,4'-(1-methylethylidene)bis- 1.46 View
Tab1_78 1,1'-Bis(4-hydroxyphenyl)cyclohexane i 2.17 View
Tab1_79 Benzenamine, N-nitroso-N-phenyl- 1.3 View
Tab1_80 Phenol, pentachloro- 3.15 View
Tab1_81 Benzenamine, 2,4,6-trimethyl- 0.39 View
Tab1_82 Phenol, 2-(1,1-dimethylethyl)-5-methyl- 1.78 View
Tab1_83 Phenol, 2-nitro- 0.34 View
Tab1_84 Phenol, 2-(1-methylpropyl)-4,6-dinitro- 2.93 View
Tab1_85 Benzenamine, 4-chloro-2-nitro- 1.01 View
Tab1_86 Phenol, 4-chloro-2-nitro- 1.2 View
Tab1_87 Phenol, 2-(1-methylpropyl)- 1.4 View
Tab1_88 Phenol, 5-methyl-2-(1-methylethyl)- 1.5 View
Tab1_89 Benzaldehyde, 2-hydroxy- 1.88 View
Tab1_90 Benzenamine, 2-methoxy- -0.21 View
Tab1_91 1-Naphthalenamine, N-phenyl- 2.5 View
Tab1_92 Quinoline, 6-ethoxy-1,2-dihydro-2,2,4-trimethyl- 1.51 View
Tab1_93 2-Naphthalenamine 1.56 View
Tab1_94 1,1'-Biphenyl-4,4'-diamine, 3,3'-dichloro- 2.7 View
Tab1_95 1,1'-Biphenyl-4,4'-diol 1.16 View
Tab1_96 Benzenamine, 2-chloro- 1.24 View
Tab1_97 Benzenamine, 2-methyl- -0.15 View
Tab1_98 1,2-Benzenediamine 1.37 View
Tab1_99 Benzenamine, 3,4-dichloro- 1.17 View
Tab1_100 2-Chloro-5-methylaniline 1.11 View
Tab1_101 Benzenamine, 2,5-dichloro- 1.87 View
Tab1_102 Phenol, 2,5-dimethyl- 1.33 View
Tab1_103 Phenol, 2,4,5-trichloro- 2.12 View
Tab1_104 Phenol, 2,4-bis(1,1-dimethylethyl)- 2.48 View
Tab1_105 Benzenamine, 4-methoxy-2-nitro- 0.61 View
Tab1_106 Guanidine, N,N'-bis(2-methylphenyl)- 1.1 View
Tab1_107 Benzoic acid, 4-hydroxy-, methyl ester 0.4 View
Tab1_108 4-Isopropylaniline 0.47 View
Tab1_109 Benzoic acid, 4-hydroxy- 0.17 View
A 2-tert-butylphenol 1.61 View
B 2-nitroaniline 0.52 View
C 4-phenylphenol 1.7 View
D 2-aminophenol 2.21 View
E 2,5-diaminotoluene 2.81 View
F 2-fluoroaniline i 0.17 View
G 3-fluoroaniline 0.87 View
H 2,4,6-trichlorophenylhydrazine 2.33 View
I N,N-diethylaniline 0.76 View
J 4-nitroaniline 0.21 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.