| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7913J43WZ5 |
Structure
| InChI Key | XXBAQTDVRLRXEV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H36O2 |
| Molecular Weight | 272.27 |
| AlogP | 5.09 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 16.0 |
| Polar Surface Area | 29.46 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 63793-60-2 |
| NORMAN SUSDAT | |
| FDA SRS | 7913J43WZ5 |
| PubChem | 114239 |
| ChemSpider | 102300.0 |
CONTENTS
