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)]

IDNamepIGC50Details
1acetone-2.41View
22-butanone-1.93View
33-methyl-2-butanone-1.36View
43-pentanone-1.59View
52-pentanone-1.42View
64-methyl-2-pentanone-1.40View
72-hexanone-1.52View
8acetophenone-0.45View
95-methyl-2-hexanone-0.75View
102-heptanone-0.66View
114-heptanone-0.84View
12propiophenone-0.06View
132-octanone-0.32View
144-bromoacetophenone0.40View
15butyrophenone0.22View
165-nonanone-0.09View
172-nonanone0.50View
18valerophenone0.55View
19benzophenone0.87View
203-decanone0.46View
212-decanone0.42View
222-fluorobenzophenone1.11View
23hexanophenone1.18View
242-undecanone1.33View
252-methylbenzophenone1.44View
264-methylbenzophenone1.40View
273-chlorobenzophenone1.55View
284-chlorobenzophenone1.51View
29heptanophenone1.51View
304-bromobenzophenone1.73View
312-dodecanone1.51View
32octanophenone1.86View
332-tridecanone2.04View
344-phenylbenzophenoneNTASView
355-tetradecanoneNTASView
366-tetradecanoneNTASView
37decanophenoneNTASView
38dodecanophenoneNTASView
39tetradecanophenoneNTASView
403-buten-2-one1.49View
411-penten-3-one1.45View
423-penten-2-one0.54View
431-hexen-3-one1.66View
444-hexen-3-one0.93View
455-hexen-2-one-1.14View
464-methyl-3-penten- 2-one-0.64View
473-hepten-2-one0.70View
485-methyl-5-hexen- 2-one-0.94View
491-octen-3-one1.92View
503-octen-2-one0.74View
516-methyl-5-hepten- 2-one-0.45View
523-nonen-2-one0.98View
533-butyn-2-one1.97View
543-hexyn-2-one1.26View

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.