| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 52L53K4X3O |
| EPA CompTox | DTXSID6025723 |
Structure
| InChI Key | SUGXZLKUDLDTKX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N1O3 |
| Molecular Weight | 165.04 |
| AlogP | 1.8 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 60.21 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 577-59-3 |
| NORMAN SUSDAT | |
| FDA SRS | 52L53K4X3O |
| PubChem | 11346 |
| ChemSpider | 10868.0 |
CONTENTS
