| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NR8ELP9QT2 |
| EPA CompTox | DTXSID80173221 |
| InChI Key | DQTOZIJNMYYCJE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6Cl1N1O5 |
| Molecular Weight | 242.99 |
| AlogP | 1.76 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 86.51 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1955-04-0 |
| NORMAN SUSDAT | |
| FDA SRS | NR8ELP9QT2 |
| PubChem | 74774 |
| ChemSpider | 67345.0 |