| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | F2QXC24TKZ |
| EPA CompTox | DTXSID60186516 |
| InChI Key | QUHNPDOXVFJYCS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H11Br1O3 |
| Molecular Weight | 305.99 |
| AlogP | 3.39 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3286-93-9 |
| NORMAN SUSDAT | |
| FDA SRS | F2QXC24TKZ |
| PubChem | 76781 |
| ChemSpider | 69237.0 |