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:118
Name:9,10-Dimethyl-1,2-benzanthracene
Description:
Labels:
CAS:56-56-4
InChi Code:InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.83

experimental value

-7.14

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

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