| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BTZ4GA32EG |
| EPA CompTox | DTXSID80220825 |
| InChI Key | AMMKISDXNUDHFE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H16Cl1N3O3 |
| Molecular Weight | 393.09 |
| AlogP | 4.97 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 83.27 |
| Heavy Atoms | 28.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 70546-12-2 |
| NORMAN SUSDAT | |
| FDA SRS | BTZ4GA32EG |
| PubChem | 16205230 |
| ChemSpider | 17333455.0 |