| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Y67VU82SCE |
| EPA CompTox | DTXSID50188226 |
Structure
| InChI Key | HKOAFLAGUQUJQG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6N4 |
| Molecular Weight | 158.06 |
| AlogP | 0.93 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 51.56 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 34671-83-5 |
| NORMAN SUSDAT | |
| FDA SRS | Y67VU82SCE |
| PubChem | 123444 |
| ChemSpider | 105927.0 |
CONTENTS
