| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 40CQ76T75O |
| EPA CompTox | DTXSID0061400 |
Structure
| InChI Key | XLQQJSWJHHKLOK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H6N6O1 |
| Molecular Weight | 154.06 |
| AlogP | -0.72 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 134.73 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1006-23-1 |
| NORMAN SUSDAT | |
| FDA SRS | 40CQ76T75O |
| PubChem | 70504 |
| ChemSpider | 63676.0 |
CONTENTS
