| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30168208 |
Structure
| InChI Key | VETIYACESIPJSO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H16O5 |
| Molecular Weight | 204.1 |
| AlogP | -0.26 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 64.99 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16695-45-7 |
| NORMAN SUSDAT | |
| PubChem | 85549 |
| ChemSpider | 77154.0 |
CONTENTS
