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:	287
	Name:	Naled
	Description:
	Labels:	Training
	CAS:	300-76-5
	InChi Code:	InChI=1/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.2	experimental value
1.9	Eq1: Best externally predictive model (Training set)
2.09	Eq2: Full model, including all data (Training set)
1.65	Tab2-9: Correlation with logKow (Training set)
3.71	Tab2-10: Correlation with logSw (Training set)
1.36	Tab2-11: logKow and aromaticity (Training set)
3.46	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID1024209	US EPA CompTox Dashboard