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:	106
	Name:	3,3'-Dichlorobenzidine
	Description:
	Labels:	Validation
	CAS:	91-94-1
	InChi Code:	InChI=1/C12H10Cl2N2/c13-9-5-7(1-3-11(9)15)8-2-4-12(16)10(14)6-8/h1-6H,15-16H2

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
4.4	experimental value
3.84	Eq1: Best externally predictive model (Validation set)
3.87	Eq2: Full model, including all data (Training set)
2.98	Tab2-9: Correlation with logKow (Validation set)
3.51	Tab2-10: Correlation with logSw (Validation set)
3.19	Tab2-11: logKow and aromaticity (Validation set)
3.63	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID6020432	US EPA CompTox Dashboard