| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3F9BXQ4BGK |
| EPA CompTox | DTXSID60186995 |
| InChI Key | BIICRHXSGPYQOV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H11Cl1N2O3 |
| Molecular Weight | 254.05 |
| AlogP | 2.31 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 53.47 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 33371-00-5 |
| NORMAN SUSDAT | |
| FDA SRS | 3F9BXQ4BGK |
| PubChem | 100686 |
| ChemSpider | 90971.0 |