| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | HB8U484NPM |
| EPA CompTox | DTXSID9025744 |
| InChI Key | BXCBUWKTXLWPSB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6Cl1N1O2 |
| Molecular Weight | 171.01 |
| AlogP | 2.33 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 43.14 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 612-23-7 |
| NORMAN SUSDAT | |
| FDA SRS | HB8U484NPM |
| PubChem | 11921 |
| ChemSpider | 11427.0 |