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:1005
Name:1,1'-Iminobis(2-propanol)
Description:
Labels:
CAS:110-97-4
InChi Code:InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
-0.82

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
0.81

experimental value

1.27

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

Links to External Resources