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

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

Search

Chemical search

Advanced Search

Browse

All of QsarDB
Communities & Collections By Submit Date Authors Titles Journals Endpoints Species Descriptor calculation software Modeling software Model type
This Collection
By Submit Date Authors Titles Journals Endpoints Species Descriptor calculation software Modeling software Model type

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.

Bibliography

Search

Browse

All of QsarDB

This Collection

My Account