| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40335904 |
Structure
| InChI Key | YVSDZDUKXQLFLV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N2O |
| Molecular Weight | 136.06 |
| AlogP | 0.99 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 42.85 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 22047-26-3 |
| NORMAN SUSDAT | |
| PubChem | 527821 |
| ChemSpider | 459996.0 |
CONTENTS
