| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | K69VXZ3MXC |
| EPA CompTox | DTXSID80159005 |
| InChI Key | XMGIRPAJBZYJDE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H15Cl1O1 |
| Molecular Weight | 174.08 |
| AlogP | 2.76 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 13487-73-5 |
| NORMAN SUSDAT | |
| FDA SRS | K69VXZ3MXC |
| PubChem | 83529 |
| ChemSpider | 75362.0 |