| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | D103H30012 |
| EPA CompTox | DTXSID5042112 |
| InChI Key | PKRRSPSPRIGHQE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H17Cl1O3 |
| Molecular Weight | 256.09 |
| AlogP | 3.37 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1713-12-8 |
| NORMAN SUSDAT | |
| FDA SRS | D103H30012 |
| PubChem | 15578 |
| ChemSpider | 14821.0 |