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:	394
	Name:	Trifluralin
	Description:
	Labels:	Training
	CAS:	1582-09-8
	InChi Code:	InChI=1/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
4.2	experimental value
2.28	Eq1: Best externally predictive model (Training set)
2.56	Eq2: Full model, including all data (Training set)
4.11	Tab2-9: Correlation with logKow (Training set)
4.19	Tab2-10: Correlation with logSw (Training set)
3.89	Tab2-11: logKow and aromaticity (Training set)
4.01	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID4021395	US EPA CompTox Dashboard