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:	491
	Name:	Mecoprop
	Description:
	Labels:	Training
	CAS:	7085-19-0
	InChi Code:	InChI=1/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/f/h12H

Properties

logKoc: logarithm of soil sorption coefficient i

Value	Source or prediction
1.3	experimental value
2.47	Eq1: Best externally predictive model (Training set)
2.53	Eq2: Full model, including all data (Training set)
2.76	Tab2-9: Correlation with logKow (Training set)
2.18	Tab2-10: Correlation with logSw (Training set)
2.77	Tab2-11: logKow and aromaticity (Training set)
2.21	Tab2-12: logSw and aromaticity (Training set)

Links to External Resources

Link	Resource description
DTXSID9024194	US EPA CompTox Dashboard