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:73
Name:2,3-Benzofluorene
Description:
Labels:
CAS:243-17-4
InChi Code:InChI=1S/C17H12/c1-2-6-13-11-17-15(9-12(13)5-1)10-14-7-3-4-8-16(14)17/h1-9,11H,10H2

Properties

MlogP: Measured octanol/water partition coefficient as logP

ValueSource or prediction
5.77

experimental value

logSobs: Aqueous solubility as logS [mol/L]

ValueSource or prediction
-7.73

experimental value

-6.58

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

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