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10967/92 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Sinks, G.D.; Hunter, R.S. Structure-Toxicity Relationships For Alkanones and Alkenones. SAR QSAR Environ. Res. 1995, 3, 1, 27–36.

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

Bibliography

  1. Schultz, T. W.; Sinks, G. D.; Hunter, R. S. Structure-Toxicity Relationships For Alkanones and Alkenones. SAR QSAR Environ. Res. 1995, 3, 27–36. http://dx.doi.org/10.1080/10629369508233991

  2. 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.