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:1814
Name:2,6-diphenylpyridine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 2,6-Diphenylpyridine
Labels:
CAS:3558-69-8
InChi Code:InChI=1S/C17H13N/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h1-13H

Properties

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

ValueSource or prediction
6.04

experimental value

5.4664

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

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