| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UN4643QTM3 |
| EPA CompTox | DTXSID9060992 |
Structure
| InChI Key | FNJVDWXUKLTFFL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H11Br1O4 |
| Molecular Weight | 237.98 |
| AlogP | 0.88 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 52.6 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 685-87-0 |
| NORMAN SUSDAT | |
| FDA SRS | UN4643QTM3 |
| PubChem | 69637 |
| ChemSpider | 62838.0 |
CONTENTS
