| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 19B54293W4 |
| EPA CompTox | DTXSID40197620 |
Structure
| InChI Key | CMNMHJVRZHGAAK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H28O2 |
| Molecular Weight | 228.21 |
| AlogP | 4.47 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4887-30-3 |
| NORMAN SUSDAT | |
| FDA SRS | 19B54293W4 |
| PubChem | 21006 |
| ChemSpider | 19759.0 |
CONTENTS
