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:183
Name:3-carboxy-2,5-dihydro-2,2,5,5-tetramethyl-1h-pyrrol-1-yloxy
Description:
Labels:
CAS:2154-67-8
InChi Code:InChI=1S/C9H15NO3/c1-8(2)5-6(7(11)12)9(3,4)10(8)13/h5,13H,1-4H3,(H,11,12)

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)