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:1852
Name:2-nitropyridin-3-ol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 3-Hydroxy-2-nitropyridine The representation of nitro groups was fixed
Labels:
CAS:15128-82-2
InChi Code:InChI=1S/C5H4N2O3/c8-4-2-1-3-6-5(4)7(9)10/h1-3,8H

Properties

M1.pLC50: 96-h Fathead minnow toxicity as log(1/LC50) [-log(mol/L)]

ValueSource or prediction
2.92

experimental value

3.0432

Tab2.Model_1: P. promelas LC50 (Training set)

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