| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VJ4Z94MM35 |
| EPA CompTox | DTXSID4058780 |
Structure
| InChI Key | VICYTAYPKBLQFB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H7Br1O3 |
| Molecular Weight | 193.96 |
| AlogP | 0.51 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 70-23-5 |
| NORMAN SUSDAT | |
| FDA SRS | VJ4Z94MM35 |
| PubChem | 66144 |
| ChemSpider | 59531.0 |
CONTENTS
