| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ACB4UMK7V3 |
| EPA CompTox | DTXSID1068560 |
| InChI Key | NEKGDYGTJYCIRI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C15H21Cl1O1 |
| Molecular Weight | 252.13 |
| AlogP | 4.97 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 17.07 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 50606-97-8 |
| NORMAN SUSDAT | |
| FDA SRS | ACB4UMK7V3 |
| PubChem | 170865 |
| ChemSpider | 149383.0 |