Gramatica, P.; Giani, E.; Papa, E. Statistical external validation and consensus modeling: A QSPR case study for Koc prediction. J. Mol. Graph. Model. 2007, 25, 6, 755–766.

Compound

	ID:	525
	Name:	Chlorfenvinphos(cis)
	Description:
	Labels:	Training
	CAS:	18708-87-7
	InChi Code:	InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.5	experimental value
3.03	Eq1: Best externally predictive model (Training set)
3.09	Eq2: Full model, including all data (Training set)
2.73	Tab2-9: Correlation with logKow (Training set)
2.63	Tab2-10: Correlation with logSw (Training set)
2.63	Tab2-11: logKow and aromaticity (Training set)
2.56	Tab2-12: logSw and aromaticity (Training set)