| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ELK35ZB528 |
| EPA CompTox | DTXSID00193527 |
Structure
| InChI Key | ZEMAAYXNKBMRGV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H18O5 |
| Molecular Weight | 218.12 |
| AlogP | 0.77 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 61.83 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 40516-46-9 |
| NORMAN SUSDAT | |
| FDA SRS | ELK35ZB528 |
| PubChem | 98702 |
| ChemSpider | 6609.0 |
CONTENTS
