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:125
Name:2-Methylanthracene
Description:
Labels:
CAS:613-12-7
InChi Code:InChI=1S/C15H12/c1-11-6-7-14-9-12-4-2-3-5-13(12)10-15(14)8-11/h2-10H,1H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.69

experimental value

-6.29

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

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