| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID7068215 |
Structure
| InChI Key | GIHYKBDWFSOKNN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9N1O4 |
| Molecular Weight | 183.05 |
| AlogP | 1.7 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 72.6 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 40130-25-4 |
| NORMAN SUSDAT | |
| PubChem | 170275 |
| ChemSpider | 148882.0 |
CONTENTS
