| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NRX9W77TK7 |
| EPA CompTox | DTXSID40204540 |
| InChI Key | JBFZYCIJRNJFOG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6Cl1N3O2 |
| Molecular Weight | 187.01 |
| AlogP | 1.53 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 81.19 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 55950-68-0 |
| NORMAN SUSDAT | |
| FDA SRS | NRX9W77TK7 |
| PubChem | 5029294 |
| ChemSpider | 4207842.0 |