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:1618
Name:[1,1'-biphenyl]-2-ol
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2-Phenylphenol
Labels:
CAS:90-43-7
InChi Code:InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H

Properties

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

ValueSource or prediction
4.44

experimental value

4.6208

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

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