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:	86
	Name:	Carbazole
	Description:
	Labels:	Training
	CAS:	86-74-8
	InChi Code:	InChI=1/C12H9N/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8,13H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
3.7	experimental value
3.98	Eq1: Best externally predictive model (Training set)
3.94	Eq2: Full model, including all data (Training set)
3.1	Tab2-9: Correlation with logKow (Training set)
3.64	Tab2-10: Correlation with logSw (Training set)
3.53	Tab2-11: logKow and aromaticity (Training set)
3.94	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID4020248	US EPA CompTox Dashboard