| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 747AE4CWN5 |
| EPA CompTox | DTXSID30177537 |
| InChI Key | OAHGNOHGHOTZQU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H6Cl1N1O3 |
| Molecular Weight | 187.0 |
| AlogP | 1.74 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 63.37 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 22996-18-5 |
| NORMAN SUSDAT | |
| FDA SRS | 747AE4CWN5 |
| PubChem | 89956 |
| ChemSpider | 80979.0 |