| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | ODX97PJ52T |
| EPA CompTox | DTXSID30219623 |
Structure
| InChI Key | FYZGXAKJVDHGDR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9N3O2 |
| Molecular Weight | 167.07 |
| AlogP | 0.15 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 104.86 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6946-29-8 |
| NORMAN SUSDAT | |
| FDA SRS | ODX97PJ52T |
| PubChem | 72490 |
| ChemSpider | 65402.0 |
CONTENTS
