| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X3H8PW2GC4 |
| EPA CompTox | DTXSID9025742 |
| InChI Key | SKDHHIUENRGTHK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H4Cl1N1O3 |
| Molecular Weight | 184.99 |
| AlogP | 1.97 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 60.21 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 122-04-3 |
| NORMAN SUSDAT | |
| FDA SRS | X3H8PW2GC4 |
| PubChem | 8502 |
| ChemSpider | 8188.0 |