| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 821P2R6B0A |
| EPA CompTox | DTXSID8062151 |
Structure
| InChI Key | XXSPGBOGLXKMDU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H7Br1O2 |
| Molecular Weight | 165.96 |
| AlogP | 1.24 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2052-01-9 |
| NORMAN SUSDAT | |
| FDA SRS | 821P2R6B0A |
| PubChem | 74924 |
| ChemSpider | 10794.0 |
CONTENTS
