| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 99GKX2FXIB |
| EPA CompTox | DTXSID50883244 |
Structure
| InChI Key | HZTPKMIMXLTOSK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H11BrO2 |
| Molecular Weight | 193.99 |
| AlogP | 2.02 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 37.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 616-05-7 |
| NORMAN SUSDAT | |
| FDA SRS | 99GKX2FXIB |
| PubChem | 12013 |
CONTENTS
