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:	208
	Name:	Propoxur
	Description:
	Labels:	Training
	CAS:	114-26-1
	InChi Code:	InChI=1/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)/f/h12H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.5	experimental value
2.12	Eq1: Best externally predictive model (Training set)
2.18	Eq2: Full model, including all data (Training set)
1.76	Tab2-9: Correlation with logKow (Training set)
1.98	Tab2-10: Correlation with logSw (Training set)
1.8	Tab2-11: logKow and aromaticity (Training set)
2.01	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID7021948	US EPA CompTox Dashboard