| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | K9C2YGM78M |
| EPA CompTox | DTXSID80298322 |
Structure
| InChI Key | MCUHSYTVMNEJFT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H11Cl1O2 |
| Molecular Weight | 150.04 |
| AlogP | 1.57 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 17696-64-9 |
| NORMAN SUSDAT | |
| FDA SRS | K9C2YGM78M |
| PubChem | 275609 |
| ChemSpider | 242493.0 |
CONTENTS
