| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6CPY647AHD |
| EPA CompTox | DTXSID40219699 |
| InChI Key | ICVODPFGWCUVJC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9Br1O3 |
| Molecular Weight | 243.97 |
| AlogP | 2.28 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 6948-30-7 |
| NORMAN SUSDAT | |
| FDA SRS | 6CPY647AHD |
| PubChem | 81379 |
| ChemSpider | 73427.0 |