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:	536
	Name:	Fenamiphos
	Description:
	Labels:	Training
	CAS:	22224-92-6
	InChi Code:	InChI=1/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)/f/h14H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.5	experimental value
2.55	Eq1: Best externally predictive model (Training set)
2.6	Eq2: Full model, including all data (Training set)
2.81	Tab2-9: Correlation with logKow (Training set)
2.39	Tab2-10: Correlation with logSw (Training set)
2.72	Tab2-11: logKow and aromaticity (Training set)
2.34	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID3024102	US EPA CompTox Dashboard