| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | AJ97N8M3F8 |
| EPA CompTox | DTXSID7067530 |
Structure
| InChI Key | YOCZCPSNNGRGHZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9N3O4 |
| Molecular Weight | 199.06 |
| AlogP | 0.71 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 87.38 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 29939-34-2 |
| NORMAN SUSDAT | |
| FDA SRS | AJ97N8M3F8 |
| PubChem | 121596 |
| ChemSpider | 108500.0 |
CONTENTS
