| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5R25Y7Y34D |
| EPA CompTox | DTXSID7059193 |
Structure
| InChI Key | KBZFDRWPMZESDI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N1O4 |
| Molecular Weight | 181.04 |
| AlogP | 0.67 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 100.62 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 99-31-0 |
| NORMAN SUSDAT | |
| FDA SRS | 5R25Y7Y34D |
| PubChem | 66833 |
| ChemSpider | 60197.0 |
CONTENTS
