| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FX6E2354Y8 |
| EPA CompTox | DTXSID80202681 |
Structure
| InChI Key | PMWXGSWIOOVHEQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5N1O2 |
| Molecular Weight | 135.03 |
| AlogP | 0.71 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 47.03 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5431-44-7 |
| NORMAN SUSDAT | |
| FDA SRS | FX6E2354Y8 |
| PubChem | 79485 |
| ChemSpider | 71798.0 |
CONTENTS
