REPOSITORY ABOUT GUIDELINES CITING BLOG

10967/143 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Carlson, R.E.; Cronin, M.T.D.; Hermens, J.L.M.; Johnson, R.; O’Brien, P.J.; Roberts, D.W.; Siraki, A.; Wallace, K.B.; Veith, G.D. A conceptual framework for predicting the toxicity of reactive chemicals: modeling soft electrophilicity. SAR QSAR Environ. Res. 2006, 17, 413–428.

12 compounds | Property pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50)

ID Name pIGC50 Details
11 1-Propen-3-one 1.8860566477 View
12 Ethyl propiolate 1.7695510786 View
13 Ethyl acrylate 0.5228787453 View
14 Methyl tetrolate 0.3979400087 View
15 Methyl crotonate -0.9190780924 View
16 Methyl methacrylate -1.3424226808 View
17 1-Penten-3-one 1.5228787453 View
18 2-Cyclopenten-1-one 0.638272164 View
19 3-Methyl-3-pentene-2-one -0.3424226808 View
20 (Trans)-2-pentenal 0.7958800173 View
21 2-Methyl-2-pentenal -0.7634279936 View
22 Vinyl acrylate 1.4202164034 View

Bibliography

  1. Schultz, T. W.; Carlson, R. E.; Cronin, M. T. D.; Hermens, J. L. M.; Johnson, R.; O’Brien, P. J.; Roberts, D. W.; Siraki, A.; Wallace, K. B.; Veith, G. D. A conceptual framework for predicting the toxicity of reactive chemicals: modeling soft electrophilicity. SAR and QSAR in Environmental Research 2006, 17, 413–428. http://dx.doi.org/10.1080/10629360600884371