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:214
Name:Isopropyl methacrylate
Description:
Labels:
CAS:4655-34-9
InChi Code:InChI=1S/C7H12O2/c1-5(2)7(8)9-6(3)4/h6H,1H2,2-4H3

Properties

AMES: Ames test mutagenicity class

ValueSource or prediction
non-mutagen

experimental value

non-mutagen

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