| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9R5O6C18O8 |
| EPA CompTox | DTXSID2060626 |
Structure
| InChI Key | GJQBHOAJJGIPRH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H5N1O1 |
| Molecular Weight | 131.04 |
| AlogP | 1.39 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 40.86 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 613-90-1 |
| NORMAN SUSDAT | |
| FDA SRS | 9R5O6C18O8 |
| PubChem | 11953 |
| ChemSpider | 11459.0 |
CONTENTS
