| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | B9M85U075P |
| EPA CompTox | DTXSID7023722 |
Structure
| InChI Key | HWKQNAWCHQMZHK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H12N4O9 |
| Molecular Weight | 284.06 |
| AlogP | -1.09 |
| Hydrogen Bond Acceptor | 10.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 160.35 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7077-34-1 |
| NORMAN SUSDAT | |
| FDA SRS | B9M85U075P |
| PubChem | 11499 |
| ChemSpider | 11015.0 |
CONTENTS
