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: | 1574 | |
|---|---|---|
| Name: | 1-methyl-2-nitronaphthalene | |
| Description: | IUPAC names and InChI codes were generated with InstantJChem Original name was: 1-Me-2-nitronaphthalene The representation of nitro groups was fixed | |
| Labels: | ||
| CAS: | 63017-87-8 | |
| InChi Code: | InChI=1S/C11H9NO2/c1-8-10-5-3-2-4-9(10)6-7-11(8)12(13)14/h2-7H,1H3 |
Properties
M8.logTA100: The mutagenicity potency in TA100 (without the S9 activation system) as log(TA100)
| Value | Source or prediction |
|---|---|
| 0.08 |
experimental value |
| 0.3717 |
Tab2.Model_8: NitroPAH TA100 without S9 (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID80212240 | US EPA CompTox Dashboard |