| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | EZ8TY5JSD5 |
| EPA CompTox | DTXSID80183845 |
| InChI Key | XBPOBCXHALHJFP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H11Br1O2 |
| Molecular Weight | 193.99 |
| AlogP | 1.72 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2969-81-5 |
| NORMAN SUSDAT | |
| FDA SRS | EZ8TY5JSD5 |
| PubChem | 76300 |
| ChemSpider | 68779.0 |