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:195
Name:N-acryloyl-n'-phenylpiperazine
Description:
Labels:
CAS:129401-88-3
InChi Code:InChI=1S/C13H16N2O/c1-2-13(16)15-10-8-14(9-11-15)12-6-4-3-5-7-12/h2-7H,1,8-11H2

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)