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:228
Name:(E,E)-muconic acid
Description:
Labels:
CAS:3588-17-8
InChi Code:InChI=1S/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)/b3-1+,4-2+

Properties

MCGM: Mammalian cell gene mutation test class

ValueSource or prediction
non-mutagen

experimental value

mutagen

Eq5: Model for α,β-unsaturated carbonyl compounds (Training set)