| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KZ27KOJ0GZ |
| EPA CompTox | DTXSID40244163 |
Structure
| InChI Key | OABRBVCUJIJMOB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9N3O6 |
| Molecular Weight | 243.05 |
| AlogP | 0.61 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 138.77 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 99610-72-7 |
| NORMAN SUSDAT | |
| FDA SRS | KZ27KOJ0GZ |
| PubChem | 5463814 |
| ChemSpider | 4576375.0 |
CONTENTS
