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:1585
Name:3-nitro-9H-carbazole
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Nitrocarbazole The representation of nitro groups was fixed
Labels:
CAS:3077-85-8
InChi Code:InChI=1S/C12H8N2O2/c15-14(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)13-12/h1-7,13H

Properties

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

ValueSource or prediction
-1

experimental value

-0.2024

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

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