| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7LCS1FW4JV |
| EPA CompTox | DTXSID20163560 |
Structure
| InChI Key | XBAVGYMDOXCWQU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8N2O3 |
| Molecular Weight | 156.05 |
| AlogP | -0.31 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 86.47 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 147-61-5 |
| NORMAN SUSDAT | |
| FDA SRS | 7LCS1FW4JV |
| PubChem | 8983 |
| ChemSpider | 8635.0 |
CONTENTS
