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:189
Name:2-nitrochalcone
Description:
Labels:
CAS:7473-93-0
InChi Code:InChI=1S/C15H11NO3/c17-15(13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)16(18)19/h1-11H/b11-10+

Properties

AMES: Ames test mutagenicity class

ValueSource or prediction
non-mutagen

experimental value

mutagen

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