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:681
Name:Chloramphenicol
Description:
Labels:
CAS:56-75-7
InChi Code:InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9-/m1/s1

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
1.14

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-2.11

experimental value

-2.04

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

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