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:196
Name:2,3-dibromopropyl methacrylate
Description:
Labels:
CAS:3066-70-4
InChi Code:InChI=1S/C7H10Br2O2/c1-5(2)7(10)11-4-6(9)3-8/h6H,1,3-4H2,2H3

Properties

AMES: Ames test mutagenicity class

ValueSource or prediction
mutagen

experimental value

mutagen

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