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:10
Name:Hexan-2-one
Description:
Labels:Training
CAS:591-78-6
InChi Code:InChI=1S/C6H12O/c1-3-4-5-6(2)7/h3-5H2,1-2H3

Properties

logRD50: Respiratory sensitisation as logarithm of toxicity

ValueSource or prediction
2.41

experimental value

2.24992

Tbl.4: Michael acceptors as respiratory irritants (Training set)

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