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:	154
	Name:	(2S)-octan-2-yl 2-[(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxy]acetate
	Description:	IUPAC names and InChI codes were generated with InstantJChem Original name was: Fluroxypyr methylheptyl ester
	Labels:
	CAS:	81406-37-3
	InChi Code:	InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)/t9-/m0/s1

Properties

M5.logHLn: Biotransformation half-lives in fish

Value	Source or prediction
-0.609174539	experimental value
-0.6232	Tab2.Model_5: Metab. biotransf. fish (Training set)

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

Value	Source or prediction
6.26	experimental value
4.7868	Tab2.Model_23: (B)TAZ O. mykiss LC50 (Training set)