10967/188 - QDB Compounds

QsarDB Repository

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:732
Name:Chloralose
Description:
Labels:
CAS:15879-93-3
InChi Code:InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2-,3+,4-,5-,6-,7-/m1/s1

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
1.02

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.84

experimental value

-1.49

Eq.1: General solubility equation (Test set to verify GSE)

Links to External Resources