| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UA6Q5C5M4C |
| EPA CompTox | DTXSID40221712 |
Structure
| InChI Key | ONRIYMIXCUUSNS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H16O5 |
| Molecular Weight | 216.1 |
| AlogP | 0.85 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 69.67 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7149-59-9 |
| NORMAN SUSDAT | |
| FDA SRS | UA6Q5C5M4C |
| PubChem | 81576 |
| ChemSpider | 73606.0 |
CONTENTS
