10967/188 - QDB Compounds

QsarDB Repository

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:345
Name:Chlorflurecol
Description:
Labels:
CAS:2464-37-1
InChi Code:InChI=1S/C14H9ClO3/c15-8-5-6-10-9-3-1-2-4-11(9)14(18,13(16)17)12(10)7-8/h1-7,18H,(H,16,17)

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-4.18

experimental value

-3.86

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

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