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:384
Name:4,7-Dimethyl-1,10-phenanthroline
Description:
Labels:
CAS:3248-05-3
InChi Code:InChI=1S/C14H12N2/c1-9-5-7-15-13-11(9)3-4-12-10(2)6-8-16-14(12)13/h3-8H,1-2H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-3.97

experimental value

-4.23

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

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