| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | G2C2EQL7SK |
| EPA CompTox | DTXSID00196412 |
Structure
| InChI Key | WPDXVLVDHUDHPC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H20O5 |
| Molecular Weight | 232.13 |
| AlogP | 0.79 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 53.99 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 45180-95-8 |
| NORMAN SUSDAT | |
| FDA SRS | G2C2EQL7SK |
| PubChem | 3016441 |
| ChemSpider | 2284388.0 |
CONTENTS
