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: | 175 | |
|---|---|---|
| Name: | 3-methylcyclopentane-1,2-dione hydrate | |
| Description: | ||
| Labels: | ||
| CAS: | 80-71-7 | |
| InChi Code: | InChI=1S/C6H8O2/c1-4-2-3-5(7)6(4)8/h8H,2-3H2,1H3 |
Properties
AMES: Ames test mutagenicity class
| Value | Source or prediction |
|---|---|
| non-mutagen |
experimental value |
| mutagen |
Eq6: Model for α,β-unsaturated carbonyl compounds (Training set) |