REPOSITORY ABOUT GUIDELINES CITING BLOG

10967/162 - QDB Compounds

QsarDB Repository

Cronin, M.T.D.; Netzeva, T.I.; Dearden, J.C.; Edwards, R.; Worgan, A.D.P. Assessment and Modeling of the Toxicity of Organic Chemicals to Chlorella vulgaris :  Development of a Novel Database. Chem. Res. Toxicol. 2004, 17, 545–554.

91 compounds | Property pEC50: 15-minute algal toxicity as log(1/EC50) [log(1/mM)] i

ID Name pEC50 Details
1 methanol -4.06 View
2 ethanol -3.32 View
4 butan-2-ol -2.98 View
5 2-hydroxyethyl methacrylate -2.82 View
6 2-hydroxyethyl acrylate -2.79 View
7 methyl acrylate -2.75 View
9 butanone -2.51 View
10 methyl methacrylate -2.24 View
11 pentan-3-one -2.23 View
12 crotonaldehyde -1.98 View
14 trans-2-pentenal -1.88 View
15 phenol -1.46 View
16 allyl methacrylate -1.42 View
17 aniline -1.34 View
19 anisole -1.09 View
20 2-fluorophenol -1.08 View
21 2-fluoroaniline -1.05 View
22 3-cresol -1.01 View
24 2-hydroxyaniline -0.91 View
25 2-methoxyphenol -0.88 View
26 2,6-dimethylaniline -0.87 View
27 benzaldehyde -0.81 View
29 2-hydroxybenzaldehyde -0.8 View
30 nitrobenzene -0.78 View
31 methidathion -0.73 View
32 4-cresol -0.66 View
34 4-tolualdehyde -0.65 View
35 2-ethoxyphenol -0.62 View
36 3-cyanobenzaldehyde -0.57 View
37 3-nitrotoluene -0.5 View
39 2,4-dinitroaniline -0.36 View
40 4-bromophenol -0.35 View
41 4-bromoaniline -0.33 View
42 3-chloroaniline -0.31 View
44 3,5-dinitroaniline 0.03 View
45 2-chlorobenzaldehyde 0.06 View
46 4-iodophenol 0.16 View
47 4-ethylbenzaldehyde 0.16 View
49 2-isopropylphenol 0.17 View
50 3,5-dichloroaniline 0.24 View
51 1,3,5-trimethyl-2-nitrobenzene 0.25 View
52 2,6-dichloroaniline 0.26 View
54 1,2-dichlorobenzene 0.37 View
55 1,3-dinitrobenzene 0.38 View
56 2,4-dinitrophenol 0.4 View
57 1,4-dinitrobenzene 0.41 View
59 phosmet 0.47 View
60 methylparathion 0.6 View
61 malathion 0.64 View
62 2,6-dichloro-4-nitroaniline 0.64 View
64 2,4-dinitrotoluene 0.7 View
65 cyanophos 0.79 View
66 6-chloro-2,4-dinitroaniline 0.8 View
67 2,6-dibromo-4-nitrophenol 0.81 View
69 2,5-dichloronitrobenzene 0.97 View
70 piperine 0.97 View
71 4-tert-butylbenzaldehyde 1 View
72 2,4,6-trichloroaniline 1.11 View
74 4-chloro-2,6-dinitroaniline 1.19 View
75 1,2-dinitrobenzene 1.23 View
76 1-chloro-4-nitrobenzene 1.25 View
77 dicapthon 1.36 View
79 2,3,5,6-tetrachloroaniline 1.48 View
80 2,4-dichloro-6-nitrophenol 1.5 View
81 2,6-dichlorobenzaldehyde 1.5 View
82 fenthion 1.56 View
84 pentachlorophenol 1.69 View
85 fenitrothion 1.71 View
86 1,2,4-trichloro-5-nitrobenzene 1.88 View
87 1,3,5-trichloro-2,4-dinitrobenzene 1.89 View
89 4-(dibutylamino)benzaldehyde 2.18 View
90 2,3,5,6-tetrachloronitrobenzene 2.34 View
91 pentabromophenol 3.1 View
3 2-methyl-propan-2-ol -3.16 View
8 butan-1-ol -2.73 View
13 trans-2-hexenal -1.94 View
18 2-heptanone -1.18 View
23 4-methoxyphenol -0.97 View
28 2-cresol -0.81 View
33 3,4-dimethylphenol -0.65 View
38 4-chlorophenol -0.42 View
43 benzyl methacrylate -0.21 View
48 2-methyl-1,4-naphthoquinone 0.16 View
53 2-tert-butyl phenol 0.29 View
58 3-nitrobenzaldehyde 0.45 View
63 methyl azinphos 0.69 View
68 thiometon 0.94 View
73 2-chloro-6-nitrotoluene 1.17 View
78 2,6-ditertbutyl-4-methyl phenol 1.45 View
83 2,4-di-tert-butylphenol 1.6 View
88 phenylazophenol 2.16 View

Bibliography

  1. Cronin, M. T. D.; Netzeva, T. I.; Dearden, J. C.; Edwards, R.; Worgan, A. D. P. Assessment and Modeling of the Toxicity of Organic Chemicals to Chlorella vulgaris :  Development of a Novel Database . Chemical Research in Toxicology 2004, 17, 545–554. http://dx.doi.org/10.1021/tx0342518