| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NY2FPS5DTU |
| EPA CompTox | DTXSID5068998 |
| InChI Key | BBUAXVLPFRRBQR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C10H13Cl1N2O1 |
| Molecular Weight | 212.07 |
| AlogP | 1.76 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 38.49 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 55048-24-3 |
| NORMAN SUSDAT | |
| FDA SRS | NY2FPS5DTU |
| PubChem | 108661 |
| ChemSpider | 97706.0 |