| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20195220 |
| InChI Key | PCPFVKJXSNDOBF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H9Br1O1 |
| Molecular Weight | 271.98 |
| AlogP | 4.86 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 13.14 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 42434-89-9 |
| NORMAN SUSDAT | |
| PubChem | 3016355 |
| ChemSpider | 2284311.0 |