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:973
Name:d-Mannitol
Description:
Labels:
CAS:69-65-8
InChi Code:InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4-,5-,6-/m1/s1

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
-2.65

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
0.07

experimental value

1.12

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

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