| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MQ4ZPP389D |
| EPA CompTox | DTXSID50216457 |
| InChI Key | MPCCNXGZCOXPMG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5Br1O2 |
| Molecular Weight | 187.95 |
| AlogP | 1.86 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Polar Surface Area | 40.46 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 6626-15-9 |
| NORMAN SUSDAT | |
| FDA SRS | MQ4ZPP389D |
| PubChem | 81105 |
| ChemSpider | 26503.0 |