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: | 21 | |
|---|---|---|
| Name: | 4-Nitrotoluene | |
| Description: | ||
| Labels: | ||
| CAS: | 99-99-0 | |
| InChi Code: | InChI=1/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3 |
Properties
logTA100exp: Mutagenicity potency in TA100 without the S9 activation system [log(revertants/nmol)]
| Value | Source or prediction |
|---|---|
| -2.1 |
experimental value |
| -1.78 |
Mod4: Full model for mutagenicity of nitrated polycyclic aromatic hydrocarbons (train) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5023792 | US EPA CompTox Dashboard |