| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 508WVS56PW |
| EPA CompTox | DTXSID7022203 |
| InChI Key | KLSHZDPXXKAHIJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7Br1O3 |
| Molecular Weight | 229.96 |
| AlogP | 1.98 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2973-76-4 |
| NORMAN SUSDAT | |
| FDA SRS | 508WVS56PW |
| PubChem | 18099 |
| ChemSpider | 10630.0 |