| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 09CC5J5C8A |
| EPA CompTox | DTXSID80859119 |
Structure
| InChI Key | QTXVAVXCBMYBJW-OAHLLOKOSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Weight | 308.1 |
| AlogP | 3.61 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 67.51 |
| Heavy Atoms | 23.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5543-58-8 |
| NORMAN SUSDAT | |
| FDA SRS | 09CC5J5C8A |
| PubChem | 54684598 |
CONTENTS
