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:130
Name:6-Methylchrysene
Description:
Labels:
CAS:1705-85-7
InChi Code:InChI=1S/C19H14/c1-13-12-19-16-8-3-2-6-14(16)10-11-18(19)17-9-5-4-7-15(13)17/h2-12H,1H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.57

experimental value

-7.01

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

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