10967/217 - QDB Compounds

QsarDB Repository

Pérez-Garrido, A.; Helguera, A. M.; López, G. C.; Cordeiro, M. N. D. S.; Escudero, A. G. A topological substructural molecular design approach for predicting mutagenesis end-points of α, β-unsaturated carbonyl compounds. Toxicology 2010, 268, 64–77.

Compound

ID:79
Name:2-(dichloromethyl)-3,3-dichloro-2-propenal
Description:
Labels:
CAS:14129-84-1
InChi Code:InChI=1S/C4H2Cl4O/c5-3(6)2(1-9)4(7)8/h1,3H

Properties

AMES: Ames test mutagenicity class

ValueSource or prediction
mutagen

experimental value

mutagen

Eq6: Model for α,β-unsaturated carbonyl compounds (Training set)