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:	436
	Name:	3,4-Dichloroacetanilide
	Description:
	Labels:	Training
	CAS:	2150-93-8
	InChi Code:	InChI=1/C8H7Cl2NO/c1-5(12)11-6-2-3-7(9)8(10)4-6/h2-4H,1H3,(H,11,12)/f/h11H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.3	experimental value
2.4	Eq1: Best externally predictive model (Training set)
2.49	Eq2: Full model, including all data (Training set)
2.66	Tab2-9: Correlation with logKow (Training set)
2.65	Tab2-10: Correlation with logSw (Training set)
2.72	Tab2-11: logKow and aromaticity (Training set)
2.7	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID00175843	US EPA CompTox Dashboard