| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20157469 |
Structure
| InChI Key | MXNAZXOOFZKJEV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H7N3O2 |
| Molecular Weight | 141.05 |
| AlogP | 0.88 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 71.82 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13230-03-0 |
| NORMAN SUSDAT | |
| PubChem | 83249 |
| ChemSpider | 75114.0 |
CONTENTS
