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: | 128 | |
|---|---|---|
| Name: | N-pentyl-5-nitro-2-furanacrylamide | |
| Description: | ||
| Labels: | ||
| CAS: | 97461-42-2 | |
| InChi Code: | InChI=1S/C12H16N2O4/c1-2-3-4-9-13-11(15)7-5-10-6-8-12(18-10)14(16)17/h5-8H,2-4,9H2,1H3,(H,13,15)/b7-5+ |
Properties
AMES: Ames test mutagenicity class
| Value | Source or prediction |
|---|---|
| mutagen |
experimental value |
| mutagen |
Eq6: Model for α,β-unsaturated carbonyl compounds (Training set) |