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:1675
Name:phenyl 2-hydroxybenzoate
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: Phenyl salicylate
Labels:
CAS:118-55-8
InChi Code:InChI=1S/C13H10O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h1-9,14H

Properties

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

ValueSource or prediction
5.26

experimental value

5.057

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

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