10967/188 - QDB Compounds

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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:242
Name:4,5,7-Trichloro-2,1,3-benzothiadiazole
Description:
Labels:
CAS:1982-55-4
InChi Code:InChI=1S/C6HCl3N2S/c7-2-1-3(8)5-6(4(2)9)11-12-10-5/h1H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.98

experimental value

-4.72

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

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