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:	495
	Name:	Chloramben methyl
	Description:
	Labels:	Training
	CAS:	7286-84-2
	InChi Code:	InChI=1/C8H7Cl2NO2/c1-13-8(12)5-2-4(9)3-6(11)7(5)10/h2-3H,11H2,1H3

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
2.7	experimental value
2.19	Eq1: Best externally predictive model (Training set)
2.32	Eq2: Full model, including all data (Training set)
2.38	Tab2-9: Correlation with logKow (Training set)
2.63	Tab2-10: Correlation with logSw (Training set)
2.43	Tab2-11: logKow and aromaticity (Training set)
2.66	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID1041762	US EPA CompTox Dashboard