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:1676
Name:2,4,6-tribromophenol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,4,6-Tribromophenol
Labels:
CAS:118-79-6
InChi Code:InChI=1S/C6H3Br3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

Properties

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

ValueSource or prediction
4.7

experimental value

5.6818

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

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