| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80458106 |
| InChI Key | JCXOJXALBTZEFE-GFCCVEGCSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H17BrN2 |
| Molecular Weight | 292.06 |
| AlogP | 3.57 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 19.03 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 143322-57-0 |
| NORMAN SUSDAT | |
| PubChem | 11185464 |
| ChemSpider | 9360548.0 |