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:144
Name:Permethrin
Description:
Labels:
CAS:52645-53-1
InChi Code:InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
6.5

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-6.29

experimental value

-6.99

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

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