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:98
Name:3,4-dichloro-2(5H)-furanone
Description:
Labels:
CAS:62674-12-8
InChi Code:InChI=1S/C4H2Cl2O2/c5-2-1-8-4(7)3(2)6/h1H2

Properties

AMES: Ames test mutagenicity class

ValueSource or prediction
mutagen

experimental value

mutagen

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