| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | EU9GL6H9FT |
| EPA CompTox | DTXSID90211840 |
Structure
| InChI Key | VXLKYQQBEPCMJE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9N1O4 |
| Molecular Weight | 195.05 |
| AlogP | 1.81 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 69.44 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6277-38-9 |
| NORMAN SUSDAT | |
| FDA SRS | EU9GL6H9FT |
| PubChem | 80470 |
| ChemSpider | 72679.0 |
CONTENTS
