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:1850
Name:4-benzoylpyridine
Description:IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Benzoylpyridine
Labels:
CAS:14548-46-0
InChi Code:InChI=1S/C12H9NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9H

Properties

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

ValueSource or prediction
3.25

experimental value

3.968

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

Links to External Resources