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:615
Name:dl-1,2-Diphenylethanol
Description:
Labels:
CAS:614-29-9
InChi Code:InChI=1S/C14H14O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10,14-15H,11H2

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.52

experimental value

-2.9

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