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: | 2 | |
|---|---|---|
| Name: | 2,4,7-Trinitro-9-fluorenone | |
| Description: | ||
| Labels: | ||
| CAS: | 129-79-3 | |
| InChi Code: | InChI=1/C13H5N3O7/c17-13-9-3-6(14(18)19)1-2-8(9)12-10(13)4-7(15(20)21)5-11(12)16(22)23/h1-5H |
Properties
logTA100exp: Mutagenicity potency in TA100 without the S9 activation system [log(revertants/nmol)]
| Value | Source or prediction |
|---|---|
| 2.27 |
experimental value |
| 2.75 |
Mod4: Full model for mutagenicity of nitrated polycyclic aromatic hydrocarbons (train) |