| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 590TQ3GL34 |
| EPA CompTox | DTXSID9063455 |
Structure
| InChI Key | JDBGXEHEIRGOBU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H6N2O3 |
| Molecular Weight | 142.04 |
| AlogP | -0.62 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 86.47 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4433-40-3 |
| NORMAN SUSDAT | |
| FDA SRS | 590TQ3GL34 |
| PubChem | 78168 |
| ChemSpider | 70544.0 |
CONTENTS
