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:219
Name:Phenothrin
Description:In original publication melting point for this compound was denoted as <25C.
Labels:
CAS:26002-80-2
InChi Code:InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-5.24

experimental value

-6.7

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

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