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:	569
	Name:	Acetochlor
	Description:
	Labels:	Training
	CAS:	34256-82-1
	InChi Code:	InChI=1/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.2	experimental value
2.82	Eq1: Best externally predictive model (Training set)
2.82	Eq2: Full model, including all data (Training set)
2.29	Tab2-9: Correlation with logKow (Training set)
2.49	Tab2-10: Correlation with logSw (Training set)
2.24	Tab2-11: logKow and aromaticity (Training set)
2.45	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID8023848	US EPA CompTox Dashboard