| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70431867 |
| InChI Key | MCVHDVANTPAEAA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12Br1N1O3 |
| Molecular Weight | 249.0 |
| AlogP | 1.53 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 46.61 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 114341-88-7 |
| NORMAN SUSDAT | |
| PubChem | 9856314 |
| ChemSpider | 8032014.0 |