| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60176139 |
Structure
| InChI Key | JUNAPQMUUHSYOV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H4N4O2 |
| Molecular Weight | 128.03 |
| AlogP | -1.17 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 91.76 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 21743-75-9 |
| NORMAN SUSDAT | |
| PubChem | 89031 |
| ChemSpider | 80336.0 |
CONTENTS
