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:	53
	Name:	Bromodichloromethane
	Description:
	Labels:	Training
	CAS:	75-27-4
	InChi Code:	InChI=1/CHBrCl2/c2-1(3)4/h1H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.8	experimental value
1.52	Eq1: Best externally predictive model (Training set)
1.75	Eq2: Full model, including all data (Training set)
2.11	Tab2-9: Correlation with logKow (Training set)
1.86	Tab2-10: Correlation with logSw (Training set)
1.81	Tab2-11: logKow and aromaticity (Training set)
1.65	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID1020198	US EPA CompTox Dashboard