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: | 39 | |
|---|---|---|
| Name: | 2,4,5,7-Tetra-nitro-9-fluorenone | |
| Description: | ||
| Labels: | ||
| CAS: | 746-53-2 | |
| InChi Code: | InChI=1/C13H4N4O9/c18-13-7-1-5(14(19)20)3-9(16(23)24)11(7)12-8(13)2-6(15(21)22)4-10(12)17(25)26/h1-4H |
Properties
logTA100exp: Mutagenicity potency in TA100 without the S9 activation system [log(revertants/nmol)]
| Value | Source or prediction |
|---|---|
| 2.46 |
experimental value |
| 3.07 |
Mod4: Full model for mutagenicity of nitrated polycyclic aromatic hydrocarbons (train) |