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:	236
	Name:	Propham
	Description:
	Labels:	Training
	CAS:	122-42-9
	InChi Code:	InChI=1/C10H13NO2/c1-8(2)13-10(12)11-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,11,12)/f/h11H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.8	experimental value
1.96	Eq1: Best externally predictive model (Training set)
2.02	Eq2: Full model, including all data (Training set)
2.43	Tab2-9: Correlation with logKow (Training set)
2.55	Tab2-10: Correlation with logSw (Training set)
2.48	Tab2-11: logKow and aromaticity (Training set)
2.58	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID7020766	US EPA CompTox Dashboard