| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID70143736 |
Structure
| InChI Key | XYHKNCXZYYTLRG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H4N2O1 |
| Molecular Weight | 96.03 |
| AlogP | 0.22 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 45.75 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 10111-08-7 |
| NORMAN SUSDAT | |
| PubChem | 24955 |
| ChemSpider | 23329.0 |
CONTENTS
