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:	1867
	Name:	N-[2-(octyloxy)phenyl]ethanimidic acid
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: 2'-(Octyloxy)-acetanilide
	Labels:
	CAS:	55792-61-5
	InChi Code:	InChI=1S/C16H25NO2/c1-3-4-5-6-7-10-13-19-16-12-9-8-11-15(16)17-14(2)18/h8-9,11-12H,3-7,10,13H2,1-2H3,(H,17,18)

Properties

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

Value	Source or prediction
5.77	experimental value
6.1147	Tab2.Model_1: P. promelas LC50 (Training set)