Gramatica, P.; Cassani, S.; Chirico, N. QSARINS-chem: Insubria datasets and new QSAR/QSPR models for environmental pollutants in QSARINS. J. Comput. Chem. 2014, 35, 1036–1044.
Compound
| ID: | 1555 | |
|---|---|---|
| Name: | 2,7-dinitro-9H-fluorene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,7-Dinitrofluorene The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 5405-53-8 | |
| InChi Code: | InChI=1S/C13H8N2O4/c16-14(17)10-1-3-12-8(6-10)5-9-7-11(15(18)19)2-4-13(9)12/h1-4,6-7H,5H2 |
Properties
M8.logTA100: The mutagenicity potency in TA100 (without the S9 activation system) as log(TA100)
| Value | Source or prediction |
|---|---|
| 1.27 |
experimental value |
| 1.4151 |
Tab2.Model_8: NitroPAH TA100 without S9 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8075253 | US EPA CompTox Dashboard |