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:	280
	Name:	Benz[a]acridine
	Description:
	Labels:	Training
	CAS:	225-11-6
	InChi Code:	InChI=1/C17H11N/c1-3-7-14-12(5-1)9-10-17-15(14)11-13-6-2-4-8-16(13)18-17/h1-11H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
4.4	experimental value
4.53	Eq1: Best externally predictive model (Training set)
4.49	Eq2: Full model, including all data (Training set)
3.56	Tab2-9: Correlation with logKow (Training set)
4.02	Tab2-10: Correlation with logSw (Training set)
3.96	Tab2-11: logKow and aromaticity (Training set)
4.29	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID9075371	US EPA CompTox Dashboard