| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30866010 |
| InChI Key | JNUMSHAQCAUPTM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H13Br2NO2 |
| Molecular Weight | 396.93 |
| AlogP | 2.97 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 37.38 |
| Heavy Atoms | 20.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 40703-79-5 |
| NORMAN SUSDAT | |
| PubChem | 93224 |