| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | XNE3D7GP2S |
| EPA CompTox | DTXSID7059482 |
| InChI Key | MEIDXJUMYYOXHN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8Cl1N1O4 |
| Molecular Weight | 217.01 |
| AlogP | 2.27 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 61.6 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 119-21-1 |
| NORMAN SUSDAT | |
| FDA SRS | XNE3D7GP2S |
| PubChem | 8383 |
| ChemSpider | 8079.0 |