| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30346584 |
| InChI Key | HAKJEHJYRKVCIU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H8Cl1N3O1 |
| Molecular Weight | 221.04 |
| AlogP | 1.47 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 60.91 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 162354-96-3 |
| NORMAN SUSDAT | |
| PubChem | 613445 |
| ChemSpider | 533236.0 |