| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90234453 |
Structure
| InChI Key | UULVLXVIYGPTBD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H14O5 |
| Molecular Weight | 190.08 |
| AlogP | -0.13 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 72.83 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85237-82-7 |
| NORMAN SUSDAT | |
| PubChem | 16205602 |
| ChemSpider | 2287432.0 |
CONTENTS
