| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | AG6TP2H7HL |
| EPA CompTox | DTXSID50163417 |
| InChI Key | AFRWBGJRWRHQOV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H13Br1O2 |
| Molecular Weight | 208.01 |
| AlogP | 2.11 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 14660-52-7 |
| NORMAN SUSDAT | |
| FDA SRS | AG6TP2H7HL |
| PubChem | 84580 |
| ChemSpider | 76301.0 |