| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3K3Z5A9NPP |
| EPA CompTox | DTXSID50187496 |
| InChI Key | KMGCTFHTBKBITO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H13Cl1O2 |
| Molecular Weight | 212.06 |
| AlogP | 3.24 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 33863-86-4 |
| NORMAN SUSDAT | |
| FDA SRS | 3K3Z5A9NPP |
| PubChem | 118561 |
| ChemSpider | 105458.0 |