| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60945089 |
Structure
| InChI Key | CFPYDAOUKFUDEY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9BrO2 |
| Molecular Weight | 227.98 |
| AlogP | 2.23 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 21.76 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 22421-56-3 |
| NORMAN SUSDAT | |
| PubChem | 90780 |
CONTENTS
