| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8M1UZO3IFC |
| EPA CompTox | DTXSID4060496 |
Structure
| InChI Key | WHKKUUPZLWUOIW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H28O4 |
| Molecular Weight | 272.2 |
| AlogP | 3.48 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 10.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 596-75-8 |
| NORMAN SUSDAT | |
| FDA SRS | 8M1UZO3IFC |
| PubChem | 69000 |
| ChemSpider | 62222.0 |
CONTENTS
