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:	9
	Name:	Fenthion
	Description:
	Labels:	Training
	CAS:	55-38-9
	InChi Code:	InChI=1/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.2	experimental value
3.39	Eq1: Best externally predictive model (Training set)
3.44	Eq2: Full model, including all data (Training set)
3.34	Tab2-9: Correlation with logKow (Training set)
3.3	Tab2-10: Correlation with logSw (Training set)
3.27	Tab2-11: logKow and aromaticity (Training set)
3.24	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID8020620	US EPA CompTox Dashboard