| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X2BXS9KCY2 |
| EPA CompTox | DTXSID0060939 |
Structure
| InChI Key | ROFZMKDROVBLNY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H3N1O5 |
| Molecular Weight | 193.0 |
| AlogP | 0.91 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 86.51 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 641-70-3 |
| NORMAN SUSDAT | |
| FDA SRS | X2BXS9KCY2 |
| PubChem | 21631 |
| ChemSpider | 20330.0 |
CONTENTS
