| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Q3U058H86V |
| EPA CompTox | DTXSID30865962 |
| InChI Key | XYCMOTOFHFTUIU-JTQLQIEISA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H19Cl2NO2 |
| Molecular Weight | 291.08 |
| AlogP | 3.12 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 41.49 |
| Heavy Atoms | 18.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 39563-28-5 |
| NORMAN SUSDAT | |
| FDA SRS | Q3U058H86V |