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:799
Name:3-Chloropropylene
Description:
Labels:
CAS:107-05-1
InChi Code:InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2

Properties

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-1.36

experimental value

-1.01

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

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