| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | O3K54IBV7F |
| EPA CompTox | DTXSID70870797 |
Structure
| InChI Key | QVRFHQHUSNMPMW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5BrO3 |
| Molecular Weight | 179.94 |
| AlogP | 0.77 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 54.37 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 923-06-8 |
| NORMAN SUSDAT | |
| FDA SRS | O3K54IBV7F |
CONTENTS
