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: | 35 | |
|---|---|---|
| Name: | 3-Methyl-2-nitronaphthalene | |
| Description: | Changed name from 3-Me-2-nitronaphthalene to 3-Methyl-2-nitronaphthalene | |
| Labels: | ||
| CAS: | 1204-72-4 | |
| InChi Code: | InChI=1/C11H9NO2/c1-8-6-9-4-2-3-5-10(9)7-11(8)12(13)14/h2-7H,1H3 |
Properties
logTA100exp: Mutagenicity potency in TA100 without the S9 activation system [log(revertants/nmol)]
| Value | Source or prediction |
|---|---|
| -0.7 |
experimental value |
| 0.17 |
Mod4: Full model for mutagenicity of nitrated polycyclic aromatic hydrocarbons (train) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID00152851 | US EPA CompTox Dashboard |