| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XZ19L9AAO8 |
| EPA CompTox | DTXSID9064423 |
Structure
| InChI Key | IDNYDOYPAOXMOC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H20O3 |
| Molecular Weight | 236.14 |
| AlogP | 3.32 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6624-60-8 |
| NORMAN SUSDAT | |
| FDA SRS | XZ19L9AAO8 |
| PubChem | 81102 |
| ChemSpider | 73169.0 |
CONTENTS
