| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | END6EW7UYT |
| EPA CompTox | DTXSID6066076 |
| InChI Key | NUTRHYYFCDEALP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5Br1O4 |
| Molecular Weight | 231.94 |
| AlogP | 1.56 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 77.76 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 16534-12-6 |
| NORMAN SUSDAT | |
| FDA SRS | END6EW7UYT |
| PubChem | 86023 |
| ChemSpider | 77604.0 |