| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID1071581 |
| InChI Key | IGKCDUQXBMHKHG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6Cl1N1O3 |
| Molecular Weight | 211.0 |
| AlogP | 2.37 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 60.21 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68516-50-7 |
| NORMAN SUSDAT | |
| PubChem | 110409 |
| ChemSpider | 4942099.0 |