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:314
Name:2-Bromonaphthalene
Description:
Labels:
CAS:580-13-2
InChi Code:InChI=1S/C10H7Br/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.4

experimental value

-3.97

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

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