| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Q85WG3ST7A |
| EPA CompTox | DTXSID30163056 |
| InChI Key | YMTFKKLFLLAFNI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H8Cl1N1O1 |
| Molecular Weight | 217.03 |
| AlogP | 2.97 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 29.96 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 14548-48-2 |
| NORMAN SUSDAT | |
| FDA SRS | Q85WG3ST7A |
| PubChem | 98503 |
| ChemSpider | 88958.0 |