| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20199682 |
Structure
| InChI Key | YFOKBFRTGLSZLU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N3 |
| Molecular Weight | 145.06 |
| AlogP | 1.47 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 41.57 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 51746-85-1 |
| NORMAN SUSDAT | |
| PubChem | 3040177 |
| ChemSpider | 2303573.0 |
CONTENTS
