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:	1533
	Name:	methyl (2R)-2-(4-{[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: XDE-536 methyl ester
	Labels:
	CAS:
	InChi Code:	InChI=1S/C16H13F4NO4/c1-9(15(22)23-2)24-11-3-5-12(6-4-11)25-14-13(17)7-10(8-21-14)16(18,19)20/h3-9H,1-2H3/t9-/m1/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-1.319174539	experimental value
-0.1016	Tab2.Model_5: Metab. biotransf. fish (Training set)