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:3
Name:Crotonaldehyde
Description:
Labels:Training
CAS:123-73-9
InChi Code:InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+

Properties

logRD50: Respiratory sensitisation as logarithm of toxicity

ValueSource or prediction
0.55

experimental value

0.62336

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