54 compounds | Property pIGC50: 2-day Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]
ID | Name | pIGC50 | Details |
---|---|---|---|
1 | acetone | -2.41 | View |
2 | 2-butanone | -1.93 | View |
3 | 3-methyl-2-butanone | -1.36 | View |
4 | 3-pentanone | -1.59 | View |
5 | 2-pentanone | -1.42 | View |
6 | 4-methyl-2-pentanone | -1.40 | View |
7 | 2-hexanone | -1.52 | View |
8 | acetophenone | -0.45 | View |
9 | 5-methyl-2-hexanone | -0.75 | View |
10 | 2-heptanone | -0.66 | View |
11 | 4-heptanone | -0.84 | View |
12 | propiophenone | -0.06 | View |
13 | 2-octanone | -0.32 | View |
14 | 4-bromoacetophenone | 0.40 | View |
15 | butyrophenone | 0.22 | View |
16 | 5-nonanone | -0.09 | View |
17 | 2-nonanone | 0.50 | View |
18 | valerophenone | 0.55 | View |
19 | benzophenone | 0.87 | View |
20 | 3-decanone | 0.46 | View |
21 | 2-decanone | 0.42 | View |
22 | 2-fluorobenzophenone | 1.11 | View |
23 | hexanophenone | 1.18 | View |
24 | 2-undecanone | 1.33 | View |
25 | 2-methylbenzophenone | 1.44 | View |
26 | 4-methylbenzophenone | 1.40 | View |
27 | 3-chlorobenzophenone | 1.55 | View |
28 | 4-chlorobenzophenone | 1.51 | View |
29 | heptanophenone | 1.51 | View |
30 | 4-bromobenzophenone | 1.73 | View |
31 | 2-dodecanone | 1.51 | View |
32 | octanophenone | 1.86 | View |
33 | 2-tridecanone | 2.04 | View |
34 | 4-phenylbenzophenone | NTAS | View |
35 | 5-tetradecanone | NTAS | View |
36 | 6-tetradecanone | NTAS | View |
37 | decanophenone | NTAS | View |
38 | dodecanophenone | NTAS | View |
39 | tetradecanophenone | NTAS | View |
40 | 3-buten-2-one | 1.49 | View |
41 | 1-penten-3-one | 1.45 | View |
42 | 3-penten-2-one | 0.54 | View |
43 | 1-hexen-3-one | 1.66 | View |
44 | 4-hexen-3-one | 0.93 | View |
45 | 5-hexen-2-one | -1.14 | View |
46 | 4-methyl-3-penten- 2-one | -0.64 | View |
47 | 3-hepten-2-one | 0.70 | View |
48 | 5-methyl-5-hexen- 2-one | -0.94 | View |
49 | 1-octen-3-one | 1.92 | View |
50 | 3-octen-2-one | 0.74 | View |
51 | 6-methyl-5-hepten- 2-one | -0.45 | View |
52 | 3-nonen-2-one | 0.98 | View |
53 | 3-butyn-2-one | 1.97 | View |
54 | 3-hexyn-2-one | 1.26 | View |
Schultz, T. W.; Sinks, G. D.; Hunter, R. S. Structure-Toxicity Relationships For Alkanones and Alkenones. SAR QSAR Environ. Res. 1995, 3, 27–36. https://doi.org/10.1080/10629369508233991
Schultz, T. W.; Lin, D. T.; Wilke, T. S.; Arnold, L. M. Quantitative structure-activity relationships for the Tetrahymena pyriformis population growth endpoint: a mechanism of action approach. In Practical Applications of Quantitative Structure-Activity Relationships (QSAR) in Environmental Chemistry and Toxicology; Karcher, W.; Devillers, J., Eds.; Joint Research Centre; 1990.