REPOSITORY QDB RESOURCES NEWS CONTACTS

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.

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

  1. Ren, S.; Frymier, P. D. Estimating the toxicities of organic chemicals to bioluminescent bacteria and activated sludge. Water Research 2002, 36, 4406–4414. http://dx.doi.org/10.1016/s0043-1354(02)00153-7

  2. 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. http://dx.doi.org/10.1061/(asce)0733-9372(2003)129:3(216)

  3. Ren, S.; Frymier, P. D. Toxicity Estimation of Phenolic Compounds by Bioluminescent Bacterium. Journal of Environmental Engineering 2003, 129, 328–335. http://dx.doi.org/10.1061/(asce)0733-9372(2003)129:4(328)