| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID9049405 |
Structure
| InChI Key | BXJHWYVXLGLDMZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H7N5O1 |
| Molecular Weight | 165.07 |
| AlogP | -0.23 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 90.44 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 20535-83-5 |
| NORMAN SUSDAT | |
| PubChem | 65275 |
| ChemSpider | 58766.0 |
CONTENTS
