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: | 1562 | |
|---|---|---|
| Name: | 2-nitrophenanthrene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Mitrophenanthrene The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 17024-18-9 | |
| InChi Code: | InChI=1S/C14H9NO2/c16-15(17)12-7-8-14-11(9-12)6-5-10-3-1-2-4-13(10)14/h1-9H |
Properties
M8.logTA100: The mutagenicity potency in TA100 (without the S9 activation system) as log(TA100)
| Value | Source or prediction |
|---|---|
| 1.79 |
experimental value |
| 1.2817 |
Tab2.Model_8: NitroPAH TA100 without S9 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID70168823 | US EPA CompTox Dashboard |