| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 84JOT4EY5X |
| EPA CompTox | DTXSID8049412 |
Structure
| InChI Key | QMNUDYFKZYBWQX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H6N2O1 |
| Molecular Weight | 146.05 |
| AlogP | 1.34 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 46.01 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 491-36-1 |
| NORMAN SUSDAT | |
| FDA SRS | 84JOT4EY5X |
| PubChem | 63112 |
| ChemSpider | 56797.0 |
CONTENTS
