| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | H9KCU93SFZ |
| EPA CompTox | DTXSID30202494 |
| InChI Key | HUXJXNSHCKHFIL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C5H11Br1O2 |
| Molecular Weight | 181.99 |
| AlogP | 1.04 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 54149-17-6 |
| NORMAN SUSDAT | |
| FDA SRS | H9KCU93SFZ |
| PubChem | 123532 |
| ChemSpider | 110127.0 |