Gramatica, P.; Pilutti, P.; Papa, E. Approaches for externally validated QSAR modelling of Nitrated Polycyclic Aromatic Hydrocarbon mutagenicity. SAR QSAR Environ. Res. 2007, 18, 169–178.
Compound
| ID: | 18 | |
|---|---|---|
| Name: | 5-Nitroacenaphthene | |
| Description: | Corrected name from 5-Mitronaphthalene to 5-Nitronaphthalene | |
| Labels: | ||
| CAS: | 602-87-9 | |
| InChi Code: | InChI=1/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2 |
Properties
logTA100exp: Mutagenicity potency in TA100 without the S9 activation system [log(revertants/nmol)]
| Value | Source or prediction |
|---|---|
| 0.97 |
experimental value |
| -0.09 |
Mod4: Full model for mutagenicity of nitrated polycyclic aromatic hydrocarbons (train) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3020960 | US EPA CompTox Dashboard |