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: | 1564 | |
|---|---|---|
| Name: | 5-nitro-1,2-dihydroacenaphthylene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 5-Nitroacenaphthene The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 602-87-9 | |
| InChi Code: | InChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2 |
Properties
M8.logTA100: The mutagenicity potency in TA100 (without the S9 activation system) as log(TA100)
| Value | Source or prediction |
|---|---|
| 0.97 |
experimental value |
| 1.0981 |
Tab2.Model_8: NitroPAH TA100 without S9 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3020960 | US EPA CompTox Dashboard |