| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID1072684 |
| InChI Key | IXOXJFDILDBSDX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H15Cl1N4O1 |
| Molecular Weight | 314.09 |
| AlogP | 4.34 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 80.77 |
| Heavy Atoms | 22.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 72968-68-4 |
| NORMAN SUSDAT | |
| PubChem | 175342 |
| ChemSpider | 152802.0 |