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:	57
	Name:	Dalapon
	Description:
	Labels:	Training
	CAS:	75-99-0
	InChi Code:	InChI=1/C3H4Cl2O2/c1-3(4,5)2(6)7/h1H3,(H,6,7)/f/h6H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
0.4	experimental value
1.31	Eq1: Best externally predictive model (Training set)
1.43	Eq2: Full model, including all data (Training set)
1.74	Tab2-9: Correlation with logKow (Training set)
0.65	Tab2-10: Correlation with logSw (Training set)
1.48	Tab2-11: logKow and aromaticity (Training set)
0.5	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID2021575	US EPA CompTox Dashboard