| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 842MH423ND |
| EPA CompTox | DTXSID6071322 |
| InChI Key | BPWATVQHGPVDSF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H10Cl1N3 |
| Molecular Weight | 231.06 |
| AlogP | 4.34 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 50.74 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68239-21-4 |
| NORMAN SUSDAT | |
| FDA SRS | 842MH423ND |
| PubChem | 109896 |
| ChemSpider | 98727.0 |