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:205
Name:Methoprene
Description:
Labels:
CAS:40596-69-8
InChi Code:InChI=1S/C19H34O3/c1-15(2)22-18(20)14-17(4)11-8-10-16(3)12-9-13-19(5,6)21-7/h8,11,14-16H,9-10,12-13H2,1-7H3/b11-8+,17-14+

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
5.5

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.34

experimental value

-6.43

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

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