| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30211622 |
| InChI Key | OVIMMGOKMSTAHQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H15Cl1O1 |
| Molecular Weight | 222.08 |
| AlogP | 3.35 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 15.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 62586-97-4 |
| NORMAN SUSDAT | |
| PubChem | 44096 |
| ChemSpider | 40133.0 |