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: | 82 | |
|---|---|---|
| Name: | 3-chloro-4-(chloromethyl)-5-hydroxy-2(5H)-furanone | |
| Description: | ||
| Labels: | ||
| CAS: | 125974-08-5 | |
| InChi Code: | InChI=1S/C5H4Cl2O3/c6-1-2-3(7)5(9)10-4(2)8/h4,8H,1H2 |
Properties
AMES: Ames test mutagenicity class
| Value | Source or prediction |
|---|---|
| mutagen |
experimental value |
| mutagen |
Eq6: Model for α,β-unsaturated carbonyl compounds (Training set) |
MCGM: Mammalian cell gene mutation test class
| Value | Source or prediction |
|---|---|
| mutagen |
experimental value |
| mutagen |
Eq5: Model for α,β-unsaturated carbonyl compounds (Training set) |