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: | 678 | |
|---|---|---|
| Name: | Cycloheptatriene | |
| Description: | ||
| Labels: | ||
| CAS: | 544-25-2 | |
| InChi Code: | InChI=1S/C7H8/c1-2-4-6-7-5-3-1/h1-6H,7H2 |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 2.63 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -2.15 |
experimental value |
| -2.05 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5073909 | US EPA CompTox Dashboard |