| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 8SA4292KBM |
| EPA CompTox | DTXSID40177982 |
| InChI Key | PQUSVJVVRXWKDG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C5H9Br1O2 |
| Molecular Weight | 179.98 |
| AlogP | 1.33 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 23426-63-3 |
| NORMAN SUSDAT | |
| FDA SRS | 8SA4292KBM |
| PubChem | 90097 |
| ChemSpider | 81336.0 |