| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID00469057 |
| InChI Key | FQMUOIZSRNYHTL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H9Br1Cl1N3O2 |
| Molecular Weight | 328.96 |
| AlogP | 2.86 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 57.01 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 500011-92-7 |
| NORMAN SUSDAT | |
| PubChem | 11587974 |
| ChemSpider | 9762738.0 |