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:	457
	Name:	Chlorpyrifos
	Description:
	Labels:	Training
	CAS:	2921-88-2
	InChi Code:	InChI=1/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.9	experimental value
3.75	Eq1: Best externally predictive model (Training set)
3.87	Eq2: Full model, including all data (Training set)
4.07	Tab2-9: Correlation with logKow (Training set)
3.75	Tab2-10: Correlation with logSw (Training set)
3.92	Tab2-11: logKow and aromaticity (Training set)
3.64	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID4020458	US EPA CompTox Dashboard