Ran, Y.; He, Y.; Yang, G.; Johnson, J. L. H.; Yalkowsky, S. H. Estimation of aqueous solubility of organic compounds by using the general solubility equation. Chemosphere 2002, 48, 487–509.

Compound

	ID:	392
	Name:	Buturon
	Description:
	Labels:
	CAS:	3766-60-7
	InChi Code:	InChI=1S/C12H13ClN2O/c1-4-9(2)15(3)12(16)14-11-7-5-10(13)6-8-11/h1,5-9H,2-3H3,(H,14,16)

Properties

MlogP: Measured octanol/water partition coefficient as logP

Value	Source or prediction
3	experimental value

logSobs: Aqueous solubility as logS [mol/L]

Value	Source or prediction
-3.9	experimental value
-3.34	Eq.1: General solubility equation (Test set to verify GSE)

Links to External Resources

Link	Resource description
DTXSID5041699	US EPA CompTox Dashboard