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:197
Name:Tert-butyl methacrylate
Description:
Labels:
CAS:585-07-9
InChi Code:InChI=1S/C8H14O2/c1-6(2)7(9)10-8(3,4)5/h1H2,2-5H3

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)