| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UH92ED5MY2 |
| EPA CompTox | DTXSID70192385 |
Structure
| InChI Key | DWENVBLWYBNNSF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H9N1O4 |
| Molecular Weight | 231.05 |
| AlogP | 3.09 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 72.6 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 39138-90-4 |
| NORMAN SUSDAT | |
| FDA SRS | UH92ED5MY2 |
| PubChem | 3016048 |
| ChemSpider | 2284060.0 |
CONTENTS
