| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JR25PA9S2J |
| EPA CompTox | DTXSID4070669 |
| InChI Key | IKAFYOYUWZAUCI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6Cl1N1O3 |
| Molecular Weight | 187.0 |
| AlogP | 1.63 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 84.54 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 67828-45-9 |
| NORMAN SUSDAT | |
| FDA SRS | JR25PA9S2J |
| PubChem | 105729 |
| ChemSpider | 95293.0 |