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:58
Name:Benzo(j)fluoranthene
Description:
Labels:
CAS:205-82-3
InChi Code:InChI=1S/C20H12/c1-2-8-15-13(5-1)11-12-17-16-9-3-6-14-7-4-10-18(19(14)16)20(15)17/h1-12H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-8

experimental value

-7.02

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

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