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: | 62 | |
|---|---|---|
| Name: | 2,2',3,3',5',6-Hexachlorobiphenyl | |
| Description: | Name and CAS no. do not match. It was impossible to identify correct structure, therefore no SMILES or InChI keys were generated. | |
| Labels: | ||
| CAS: | 52704-70-8 | |
| InChi Code: |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 7.25 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -7.9 |
experimental value |
| -7.89 |
Eq.1: General solubility equation (Test set to verify GSE) |