| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | G9MLR7Q2BX |
| EPA CompTox | DTXSID00194150 |
Structure
| InChI Key | GDBUORNHWAZSNU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8N2O1 |
| Molecular Weight | 124.06 |
| AlogP | 0.93 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 34.89 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4122-52-5 |
| NORMAN SUSDAT | |
| FDA SRS | G9MLR7Q2BX |
| PubChem | 77770 |
| ChemSpider | 70167.0 |
CONTENTS
