| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 840R4IDQ1T |
| EPA CompTox | DTXSID2022044 |
Structure
| InChI Key | QJZUKDFHGGYHMC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5N1O1 |
| Molecular Weight | 107.04 |
| AlogP | 0.89 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 29.96 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 500-22-1 |
| NORMAN SUSDAT | |
| FDA SRS | 840R4IDQ1T |
| PubChem | 10371 |
| ChemSpider | 9943.0 |
CONTENTS
