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:513
Name:1-Fluoro-4-iodobenzene
Description:
Labels:
CAS:352-34-1
InChi Code:InChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.13

experimental value

-2.91

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

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