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: | 29 | |
|---|---|---|
| Name: | 2,3,5-Trinitrotoluene | |
| Description: | ||
| Labels: | ||
| CAS: | 609-74-5 | |
| InChi Code: | InChI=1/C7H5N3O6/c1-4-2-5(8(11)12)3-6(9(13)14)7(4)10(15)16/h2-3H,1H3 |
Properties
logTA100exp: Mutagenicity potency in TA100 without the S9 activation system [log(revertants/nmol)]
| Value | Source or prediction |
|---|---|
| 0.46 |
experimental value |
| 0.78 |
Mod4: Full model for mutagenicity of nitrated polycyclic aromatic hydrocarbons (train) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID80209736 | US EPA CompTox Dashboard |