| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 323582F8T3 |
| EPA CompTox | DTXSID70155036 |
| InChI Key | SGTITUFGCGGICE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C5H11Br1O2 |
| Molecular Weight | 181.99 |
| AlogP | 1.39 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 126-38-5 |
| NORMAN SUSDAT | |
| FDA SRS | 323582F8T3 |
| PubChem | 67175 |
| ChemSpider | 60519.0 |