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: | 3 | |
|---|---|---|
| Name: | 1,3-Dinitropyrene | |
| Description: | ||
| Labels: | ||
| CAS: | 75321-20-9 | |
| InChi Code: | InChI=1/C16H8N2O4/c19-17(20)13-8-14(18(21)22)12-7-5-10-3-1-2-9-4-6-11(13)16(12)15(9)10/h1-8H |
Properties
logTA100exp: Mutagenicity potency in TA100 without the S9 activation system [log(revertants/nmol)]
| Value | Source or prediction |
|---|---|
| 4.63 |
experimental value |
| 3.16 |
Mod4: Full model for mutagenicity of nitrated polycyclic aromatic hydrocarbons (train) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5074975 | US EPA CompTox Dashboard |