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: | 125 | |
|---|---|---|
| Name: | 4,4'-dinitrochalcone | |
| Description: | ||
| Labels: | ||
| CAS: | 25870-67-1 | |
| InChi Code: | InChI=1S/C15H10N2O5/c18-15(12-4-8-14(9-5-12)17(21)22)10-3-11-1-6-13(7-2-11)16(19)20/h1-10H/b10-3+ |
Properties
AMES: Ames test mutagenicity class
| Value | Source or prediction |
|---|---|
| mutagen |
experimental value |
| mutagen |
Eq6: Model for α,β-unsaturated carbonyl compounds (Training set) |