| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ATT39K5F0C |
| EPA CompTox | DTXSID20216484 |
Structure
| InChI Key | UUVDJIWRSIJEBS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8N2O1 |
| Molecular Weight | 124.06 |
| AlogP | 0.67 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 48.14 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6628-77-9 |
| NORMAN SUSDAT | |
| FDA SRS | ATT39K5F0C |
| PubChem | 81121 |
| ChemSpider | 73188.0 |
CONTENTS
