| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00917422 |
Structure
| InChI Key | DAIKRYIFVNVKRJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H11BrO3 |
| Molecular Weight | 209.99 |
| AlogP | 0.7 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 93858-59-4 |
| NORMAN SUSDAT | |
| PubChem | 3022707 |
CONTENTS
