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:1836
Name:2-bromopyridin-3-ol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Bromo-3-pyridinol
Labels:
CAS:6602-32-0
InChi Code:InChI=1S/C5H4BrNO/c6-5-4(8)2-1-3-7-5/h1-3,8H

Properties

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

ValueSource or prediction
2.57

experimental value

3.2199

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

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