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:207
Name:N-propyl-5-nitro-2-furanacrylamide
Description:
Labels:
CAS:90147-31-2
InChi Code:InChI=1S/C10H12N2O4/c1-2-7-11-9(13)5-3-8-4-6-10(16-8)12(14)15/h3-6H,2,7H2,1H3,(H,11,13)/b5-3+

Properties

AMES: Ames test mutagenicity class

ValueSource or prediction
mutagen

experimental value

mutagen

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