Katritzky, A. R.; Kasemets, K.; Slavov, S.; Radzvilovits, M.; Tämm, K.; Karelson, M. Estimating the toxicities of organic chemicals in activated sludge process. Water Res. 2010, 44, 2451–2460.

104 compounds | Property logEC50: Bioluminescent Shk1 aquatic toxicity as logEC50 [log(mmol/L)] i

ID	Name	logEC50	Details
1	4-Nitrophenol i	-0.51	View
2	Ethylbenzene i	-0.27	View
3	Benzyl alcohol i	0.77	View
4	Benzaldehyde	0.35	View
5	Triethanolamine	1.8	View
6	2-Ethyl-1-hexanol i	0.08	View
7	4-Chlorobenzaldehyde	0.48	View
8	4-Bromophenol	-0.8	View
9	p-Xylene	-0.27	View
10	1,4-Dichlorobenzene	-0.15	View
11	4-Chlorophenol	-0.8	View
12	1,2-Dibromoethane	0.69	View
13	1,2-Dichloroethane	1.15	View
14	Methyl isobutyl ketone	0.57	View
15	m-Cresol	0.24	View
16	Toluene i	0	View
17	Chlorobenzene	-0.03	View
18	Cyclohexylamine	0.61	View
19	Cyclohexanone	0.08	View
20	Phenol	0.71	View
21	1-Chlorobutane	-0.48	View
22	n-Butylamine i	0.64	View
23	Diethylamine	0.65	View
24	Isobutyl acetate	0.4	View
25	Hexane	-0.15	View
26	1,4-Dichlorobutane	0.33	View
27	Cyclohexane	0.05	View
28	1-Hexanol	0.3	View
29	Glutaraldehyde	0.22	View
30	Octane	0.16	View
31	1-Octanol i	-0.27	View
32	Pyrocatechol	0.86	View
33	2,4-Dichlorophenol	-0.74	View
34	2,4-Dinitrotoluene	0.12	View
35	Triethylamine	0.49	View
36	Isopentyl alcohol	1.14	View
37	Azelaic acid	0.05	View
38	Tetrachloroethylene	0.11	View
39	2-Naphthol	-1.08	View
40	Ethanolamine	0.96	View
41	Ethyl acetate	1.29	View
42	1,3-Dichloropropane	0.59	View
43	8-Quinolinol	-0.19	View
44	tert-Butyl methyl ether	0.2	View
45	1,1,3-Trichloroprop-1-ene i	-0.08	View
46	2,3-Dihydroxybenzoic acid i	0	View
47	2,3,4,5-Tetrachlorophenol	-1.51	View
48	2,5-Dihydroxybenzoic acid	0.21	View
49	Formaldehyde i	0.08	View
50	3,5-dihydroxytoluene	0.97	View
51	Orcinol	0.97	View
52	2,5-Dichlorobenzoic acid	0.03	View
53	2,4-Dinitrophenol	-0.24	View
54	3-Chlorobenzoic acid	0.14	View
55	1,3-Dichlorobenzene	-0.36	View
56	Carbon tetrachloride	-0.22	View
57	3-Phenylphenol	-0.85	View
58	2,5-Dichlorophenol	-0.01	View
59	4-Bromobenzoic acid	-0.77	View
60	3,5-Dichlorophenol	-0.6	View
61	4-Chloro-3-methylphenol	-0.89	View
62	Diethyl ether i	1.68	View
63	Aniline	1.13	View
64	n-Amyl acetate	0.15	View
65	1,5-Dichloropentane	-0.38	View
66	1,1,1,2-Tetrachloroethane	-0.85	View
67	Ethanol	2.83	View
68	Acetic acid	0.35	View
69	Methanol	3.1	View
70	2-Propanol	2.55	View
71	Acetone	2.59	View
72	Chloroform i	0.77	View
73	1-Propanol	2.14	View
74	1-Butanol	1.57	View
75	1-Pentanol	0.92	View
76	Benzene	0.41	View
77	1,1,1-Trichloroethane i	-0.43	View
78	Iodomethane i	0.64	View
79	Dibromomethane	0.79	View
80	Bromoethane	1.3	View
81	Bromochloromethane	1.4	View
82	Methylene chloride	1.54	View
83	Formamide	2.14	View
84	Bromoform	-0.19	View
85	1,2-Dichloropropane	0.39	View
86	Methyl ethyl ketone	0.94	View
87	Trichloroethylene	0.16	View
88	1,1,2,2-Tetrachloroethane	-0.62	View
89	2,6-Dichlorophenol	-0.13	View
90	Phthalic acid i	0.89	View
91	2-Chlorobenzaldehyde	-0.32	View
92	Salicylaldehyde	0.23	View
93	2-Methoxyphenol	0.67	View
94	1-Naphthol i	-0.43	View
95	2,6-Dimethoxyphenol	-1	View
96	2,3,6-Trichlorophenol i	-0.51	View
97	1,2-Dichlorobenzene	-0.26	View
98	2-Chlorophenol	0.07	View
99	2,4,5-Trichlorophenol	-1.18	View
100	1,2,3-Trichloropropane	0.16	View
101	Nitrobenzene	0.22	View
102	3'-Chloroacetophenone	-0.37	View
103	Protocatechuic acid	0.25	View
104	4'-Chloroacetophenone	-0.37	View

Bibliography

Ren, S.; Frymier, P. D. Estimating the toxicities of organic chemicals to bioluminescent bacteria and activated sludge. Water Research 2002, 36, 4406–4414. https://doi.org/10.1016/s0043-1354(02)00153-7
Ren, S.; Frymier, P. D. Comparative Study of Two Bioassays for Applications in Influent Wastewater Toxicity Monitoring. Journal of Environmental Engineering 2003, 129, 216–221. https://doi.org/10.1061/(asce)0733-9372(2003)129:3(216)
Ren, S.; Frymier, P. D. Toxicity Estimation of Phenolic Compounds by Bioluminescent Bacterium. Journal of Environmental Engineering 2003, 129, 328–335. https://doi.org/10.1061/(asce)0733-9372(2003)129:4(328)

10967/200 - QDB Compounds

QsarDB Repository

Katritzky, A. R.; Kasemets, K.; Slavov, S.; Radzvilovits, M.; Tämm, K.; Karelson, M. Estimating the toxicities of organic chemicals in activated sludge process. Water Res. 2010, 44, 2451–2460.

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