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:	1599
	Name:	4-phenoxybenzaldehyde
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: p-Phenoxybenzaldehyde
	Labels:
	CAS:	67-36-7
	InChi Code:	InChI=1S/C13H10O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-10H

Properties

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

Value	Source or prediction
4.63	experimental value
4.6428	Tab2.Model_1: P. promelas LC50 (Training set)

Links to External Resources

Link	Resource description
DTXSID7021730	US EPA CompTox Dashboard