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: | 956 | |
|---|---|---|
| Name: | Pyrrole | |
| Description: | ||
| Labels: | ||
| CAS: | 109-97-7 | |
| InChi Code: | InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H |
Properties
MlogP: Measured octanol/water partition coefficient as logP
| Value | Source or prediction |
|---|---|
| 0.75 |
experimental value |
logSobs: Aqueous solubility as logS [mol/L]
| Value | Source or prediction |
|---|---|
| -0.17 |
experimental value |
| -0.25 |
Eq.1: General solubility equation (Test set to verify GSE) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID5021910 | US EPA CompTox Dashboard |