| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 91PS2PWB1Q |
| EPA CompTox | DTXSID3059551 |
Structure
| InChI Key | OEICGMPRFOJHKO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H6N2O1 |
| Molecular Weight | 122.05 |
| AlogP | 0.95 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 56.81 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 123-06-8 |
| NORMAN SUSDAT | |
| FDA SRS | 91PS2PWB1Q |
| PubChem | 67152 |
| ChemSpider | 60497.0 |
CONTENTS
