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:88
Name:13H-dibenzo(a,i)carbazole
Description:
Labels:
CAS:239-64-5
InChi Code:InChI=1S/C20H13N/c1-3-7-15-13(5-1)9-11-17-18-12-10-14-6-2-4-8-16(14)20(18)21-19(15)17/h1-12,21H

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-7.41

experimental value

-6.92

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

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