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:115
Name:4-aminocinnamic acid
Description:
Labels:
CAS:2393-18-2
InChi Code:InChI=1S/C9H9NO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,10H2,(H,11,12)/b6-3+

Properties

AMES: Ames test mutagenicity class

ValueSource or prediction
non-mutagen

experimental value
non-mutagen

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