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:	61
	Name:	3-Methylcholanthrene
	Description:
	Labels:
	CAS:	56-49-5
	InChi Code:	InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

Value	Source or prediction
6.42	experimental value

logSobs: Aqueous solubility as logS [mol/L]

Value	Source or prediction
-7.92	experimental value
-7.66	Eq.1: General solubility equation (Test set to verify GSE)

Links to External Resources

Link	Resource description
DTXSID0020862	US EPA CompTox Dashboard