| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | U65T5SBV9A |
| EPA CompTox | DTXSID70193392 |
| InChI Key | QVCZOTVTRWNPAF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6Cl1N1O1 |
| Molecular Weight | 167.01 |
| AlogP | 2.62 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 29.43 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 40398-00-3 |
| NORMAN SUSDAT | |
| FDA SRS | U65T5SBV9A |
| PubChem | 3016182 |
| ChemSpider | 2284176.0 |