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: | 165 | |
|---|---|---|
| Name: | 1,2,3,6,7,8-Hexahydropyrene | |
| Description: | ||
| Labels: | ||
| CAS: | 1732-13-4 | |
| InChi Code: | InChI=1S/C16H16/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h7-10H,1-6H2 |
Properties
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -5.96 |
experimental value |
| -5.92 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID60169541 | US EPA CompTox Dashboard |