| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FG7Z4T71Y4 |
| EPA CompTox | DTXSID3057694 |
| InChI Key | HWIIAAVGRHKSOJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H10Cl1N3O2 |
| Molecular Weight | 239.05 |
| AlogP | 1.71 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 70.99 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 23680-84-4 |
| NORMAN SUSDAT | |
| FDA SRS | FG7Z4T71Y4 |
| PubChem | 90235 |
| ChemSpider | 81461.0 |