| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 55VP4W35EG |
| EPA CompTox | DTXSID9063744 |
Structure
| InChI Key | DCBJCKDOZLTTDW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H11Cl1O1 |
| Molecular Weight | 122.05 |
| AlogP | 1.39 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 20.23 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5259-98-3 |
| NORMAN SUSDAT | |
| FDA SRS | 55VP4W35EG |
| PubChem | 78915 |
| ChemSpider | 71250.0 |
CONTENTS
