| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50183291 |
| InChI Key | PGUDBLNEUOQDEB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H11Br1O2 |
| Molecular Weight | 241.99 |
| AlogP | 3.15 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 29052-06-0 |
| NORMAN SUSDAT | |
| PubChem | 96107 |
| ChemSpider | 86752.0 |