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:163
Name:Tricresyl phosphate
Description:Name and CAS no. do not match. It was impossible to identify correct structure, therefore no SMILES or InChI keys were generated.
Labels:
CAS:1330-78-5
InChi Code:

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.01

experimental value

-5.45

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