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:	1849
	Name:	3-(4-bromobenzoyl)pyridine
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 4-Bromophenyl 3-pyridyl ketone
	Labels:
	CAS:	14548-45-9
	InChi Code:	InChI=1S/C12H8BrNO/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10/h1-8H

Properties

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

Value	Source or prediction
4.11	experimental value
4.6655	Tab2.Model_1: P. promelas LC50 (Training set)