| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | T5968T6KIM |
| EPA CompTox | DTXSID2068925 |
| InChI Key | CIBYYNKTGAUUAG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H12Cl1N3O1 |
| Molecular Weight | 237.07 |
| AlogP | 2.18 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 56.19 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 54241-45-1 |
| NORMAN SUSDAT | |
| FDA SRS | T5968T6KIM |
| PubChem | 104711 |
| ChemSpider | 94531.0 |