| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5BR3P7J05U |
| EPA CompTox | DTXSID70197592 |
Structure
| InChI Key | ONJSZLXSECQROL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9N1O4 |
| Molecular Weight | 195.05 |
| AlogP | 0.78 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 90.12 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 487-54-7 |
| NORMAN SUSDAT | |
| FDA SRS | 5BR3P7J05U |
| PubChem | 10253 |
| ChemSpider | 9835.0 |
CONTENTS
