| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70886358 |
Structure
| InChI Key | NSKAHUQUMMQTTA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9BrO3 |
| Molecular Weight | 195.97 |
| AlogP | 0.57 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59453-00-8 |
| NORMAN SUSDAT | |
| PubChem | 101060 |
CONTENTS
