| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HD2N5686EM |
| EPA CompTox | DTXSID40145782 |
| InChI Key | CKPISSPGMGLMTN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H13Br1O3 |
| Molecular Weight | 224.0 |
| AlogP | 1.35 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 10332-48-6 |
| NORMAN SUSDAT | |
| FDA SRS | HD2N5686EM |
| PubChem | 82549 |
| ChemSpider | 74498.0 |