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:	438
	Name:	Fluometuron
	Description:
	Labels:	Validation
	CAS:	2164-17-2
	InChi Code:	InChI=1/C10H11F3N2O/c1-15(2)9(16)14-8-5-3-4-7(6-8)10(11,12)13/h3-6H,1-2H3,(H,14,16)/f/h14H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2	experimental value
1.78	Eq1: Best externally predictive model (Validation set)
1.94	Eq2: Full model, including all data (Training set)
2.31	Tab2-9: Correlation with logKow (Validation set)
2.66	Tab2-10: Correlation with logSw (Validation set)
2.29	Tab2-11: logKow and aromaticity (Validation set)
2.63	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID8020628	US EPA CompTox Dashboard