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:	165
	Name:	2-(3-{2,6-dichloro-4-[(3,3-dichloroprop-2-en-1-yl)oxy]phenoxy}propoxy)-6-(trifluoromethyl)pyridine
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Pyridalyl
	Labels:
	CAS:	179101-81-6
	InChi Code:	InChI=1S/C18H14Cl4F3NO3/c19-12-9-11(27-8-5-15(21)22)10-13(20)17(12)29-7-2-6-28-16-4-1-3-14(26-16)18(23,24)25/h1,3-5,9-10H,2,6-8H2

Properties

M23.pLC50: 96-h Rainbow trout toxicity as log(1/LC50) [-log(mol/L)]

Value	Source or prediction
5.99	experimental value
6.3372	Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set)