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:	157
	Name:	Anilazine
	Description:
	Labels:	Validation
	CAS:	101-05-3
	InChi Code:	InChI=1/C9H5Cl3N4/c10-5-3-1-2-4-6(5)13-9-15-7(11)14-8(12)16-9/h1-4H,(H,13,14,15,16)/f/h13H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.2	experimental value
3.36	Eq1: Best externally predictive model (Validation set)
3.48	Eq2: Full model, including all data (Training set)
3.21	Tab2-9: Correlation with logKow (Validation set)
3.28	Tab2-10: Correlation with logSw (Validation set)
3.4	Tab2-11: logKow and aromaticity (Validation set)
3.42	Tab2-12: logSw and aromaticity (Validation set)

Links to External Resources

Link	Resource description
DTXSID9020089	US EPA CompTox Dashboard