| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | CSQ9MY7PQ9 |
| EPA CompTox | DTXSID1020275 |
| InChI Key | YTISFYMPVILQRL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H10Cl1N1O1 |
| Molecular Weight | 219.05 |
| AlogP | 3.71 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 35.25 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 101-79-1 |
| NORMAN SUSDAT | |
| FDA SRS | CSQ9MY7PQ9 |
| PubChem | 7578 |
| ChemSpider | 7297.0 |