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.

Compound

ID:14
Name:Methyl tetrolate
Description:
Labels:
CAS:23326-27-4
InChi Code:InChI=1S/C5H6O2/c1-3-4-5(6)7-2/h1-2H3

Properties

pIGC50: 40-h Tetrahymena toxicity as log(1/IGC50)

ValueSource or prediction
0.3979400087

experimental value

-0.0256317442

Tbl.2: Michael acceptors' acute aquatic toxicity (Training set)