| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | J6TN518LGK |
| EPA CompTox | DTXSID90200037 |
Structure
| InChI Key | UMJGAWHIMHSGMU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.16 |
| AlogP | 3.46 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 52061-75-3 |
| NORMAN SUSDAT | |
| FDA SRS | J6TN518LGK |
| PubChem | 104067 |
| ChemSpider | 93953.0 |
CONTENTS
