| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | G3D8K66BX8 |
| EPA CompTox | DTXSID2071025 |
Structure
| InChI Key | YXZPUUPBQVIBTL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H21Cl1O2 |
| Molecular Weight | 256.12 |
| AlogP | 4.7 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 68052-10-8 |
| NORMAN SUSDAT | |
| FDA SRS | G3D8K66BX8 |
| PubChem | 106465 |
| ChemSpider | 95850.0 |
CONTENTS
