| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60952551 |
| InChI Key | VKCMWLOBUILIOQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H13BrO3 |
| Molecular Weight | 248.0 |
| AlogP | 1.68 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 30132-23-1 |
| NORMAN SUSDAT | |
| PubChem | 121765 |