10967/177 - QDB Compounds

QsarDB Repository

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:1584
Name:2-nitro-9H-carbazole
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Nitrocarbazole The representation of nitro groups was fixed
Labels:
CAS:14191-22-1
InChi Code:InChI=1S/C12H8N2O2/c15-14(16)8-5-6-10-9-3-1-2-4-11(9)13-12(10)7-8/h1-7,13H

Properties

M8.logTA100: The mutagenicity potency in TA100 (without the S9 activation system) as log(TA100)

ValueSource or prediction
-0.3

experimental value

-0.1153

Tab2.Model_8: NitroPAH TA100 without S9 (Training set)

Links to External Resources