| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PQ8L2L84EL |
| EPA CompTox | DTXSID50222391 |
| InChI Key | RVEATKYEARPWRE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8Cl1N1O3 |
| Molecular Weight | 201.02 |
| AlogP | 1.63 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 72.55 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 7206-70-4 |
| NORMAN SUSDAT | |
| FDA SRS | PQ8L2L84EL |
| PubChem | 81626 |
| ChemSpider | 73655.0 |