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:	334
	Name:	2-Chlorobenzamide
	Description:
	Labels:	Training
	CAS:	609-66-5
	InChi Code:	InChI=1/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)/f/h9H2

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.5	experimental value
1.88	Eq1: Best externally predictive model (Training set)
1.99	Eq2: Full model, including all data (Training set)
1.2	Tab2-9: Correlation with logKow (Training set)
1.4	Tab2-10: Correlation with logSw (Training set)
1.43	Tab2-11: logKow and aromaticity (Training set)
1.57	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID3052278	US EPA CompTox Dashboard