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:	543
	Name:	Piperophos
	Description:
	Labels:	Training
	CAS:	24151-93-7
	InChi Code:	InChI=1/C14H28NO3PS2/c1-4-10-17-19(20,18-11-5-2)21-12-14(16)15-9-7-6-8-13(15)3/h13H,4-12H2,1-3H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.4	experimental value
2.94	Eq1: Best externally predictive model (Training set)
2.99	Eq2: Full model, including all data (Training set)
3.86	Tab2-9: Correlation with logKow (Training set)
3	Tab2-10: Correlation with logSw (Training set)
3.46	Tab2-11: logKow and aromaticity (Training set)
2.72	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID8058031	US EPA CompTox Dashboard