| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 86K27312YB |
| EPA CompTox | DTXSID3029285 |
Structure
| InChI Key | LJAIDEYQVIJERM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6N4 |
| Molecular Weight | 134.06 |
| AlogP | -0.14 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 74.61 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 7327-60-8 |
| NORMAN SUSDAT | |
| FDA SRS | 86K27312YB |
| PubChem | 81762 |
| ChemSpider | 73778.0 |
CONTENTS
