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:	315
	Name:	2,4-Dichloroaniline
	Description:
	Labels:	Training
	CAS:	554-00-7
	InChi Code:	InChI=1/C6H5Cl2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2

Properties

logKoc: logarithm of soil sorption coefficient i

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

Links to External Resources

Link	Resource description
DTXSID1024966	US EPA CompTox Dashboard