| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | MRBFGEHILMYPTF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12N4 |
| Molecular Weight | 164.11 |
| AlogP | -0.11 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 41.05 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 20980-22-7 |
| NORMAN SUSDAT | |
| PubChem | 88747 |
| ChemSpider | 80080.0 |
CONTENTS
