| Keyword(s): | Human Metabolites |
| Molecule Category | Salt-form |
Structure
| InChI Key | PNLXWGDXZOYUKB-WCCKRBBISA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12ClNO4 |
| Molecular Weight | 197.05 |
| AlogP | -0.53 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 78.62 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 32213-95-9 |
| NORMAN SUSDAT |
CONTENTS
