| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4K2OR9A61V |
| EPA CompTox | DTXSID30241065 |
Structure
| InChI Key | WPUQECAAGCCMEZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H26O2 |
| Molecular Weight | 214.19 |
| AlogP | 3.6 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 94213-58-8 |
| NORMAN SUSDAT | |
| FDA SRS | 4K2OR9A61V |
| PubChem | 3024047 |
| ChemSpider | 2290067.0 |
CONTENTS
