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:254
Name:Ditolyl ether
Description:In original publication melting point for this compound was denoted as <25C. . Name and CAS no. do not match. It was impossible to identify correct structure, therefore no SMILES or InChI keys were generated.
Labels:
CAS:28299-41-4
InChi Code:

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.85

experimental value

-4.74

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

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