| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60953624 |
| InChI Key | ADQOGAQFIJCUCU-BKLSDQPFSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H10BrNO3 |
| Molecular Weight | 222.98 |
| AlogP | 1.2 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 69.89 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 31654-38-3 |
| NORMAN SUSDAT | |
| PubChem | 21117230 |