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:	627
	Name:	Sulfometuron methyl
	Description:
	Labels:	Training
	CAS:	74222-97-2
	InChi Code:	InChI=1/C15H16N4O5S/c1-9-8-10(2)17-14(16-9)18-15(21)19-25(22,23)12-7-5-4-6-11(12)13(20)24-3/h4-8H,1-3H3,(H2,16,17,18,19,21)/f/h18-19H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.8	experimental value
2.38	Eq1: Best externally predictive model (Training set)
2.51	Eq2: Full model, including all data (Training set)
2.24	Tab2-9: Correlation with logKow (Training set)
2.47	Tab2-10: Correlation with logSw (Training set)
2.31	Tab2-11: logKow and aromaticity (Training set)
2.51	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID0034936	US EPA CompTox Dashboard