| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ZL7CZQ6FZC |
| EPA CompTox | DTXSID9074850 |
Structure
| InChI Key | IAHOUQOWMXVMEH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H4N4O6 |
| Molecular Weight | 228.01 |
| AlogP | 0.99 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 155.44 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 489-98-5 |
| NORMAN SUSDAT | |
| FDA SRS | ZL7CZQ6FZC |
| PubChem | 10271 |
| ChemSpider | 9852.0 |
CONTENTS
