| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KC2J6HXJ8S |
| EPA CompTox | DTXSID30167711 |
| InChI Key | GVSGSHGXUXLQNS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5Br1O3 |
| Molecular Weight | 215.94 |
| AlogP | 1.67 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 57.53 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 16414-34-9 |
| NORMAN SUSDAT | |
| FDA SRS | KC2J6HXJ8S |
| PubChem | 85405 |
| ChemSpider | 77026.0 |