| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | QXWYKJLNLSIPIN-JGVFFNPUSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11NO5 |
| Molecular Weight | 213.06 |
| AlogP | -0.46 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 124.01 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3916-18-5 |
| NORMAN SUSDAT |
CONTENTS
