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: | 27 | |
|---|---|---|
| Name: | 3,5-Dinitrotoluene | |
| Description: | ||
| Labels: | ||
| CAS: | 618-85-9 | |
| InChi Code: | InChI=1/C7H6N2O4/c1-5-2-6(8(10)11)4-7(3-5)9(12)13/h2-4H,1H3 |
Properties
logTA100exp: Mutagenicity potency in TA100 without the S9 activation system [log(revertants/nmol)]
| Value | Source or prediction |
|---|---|
| -0.72 |
experimental value |
| -0.75 |
Mod4: Full model for mutagenicity of nitrated polycyclic aromatic hydrocarbons (train) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID40210803 | US EPA CompTox Dashboard |