| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7RUI9488IL |
| EPA CompTox | DTXSID20197426 |
Structure
| InChI Key | AEHPOYAOLCAMIU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H9N3O4 |
| Molecular Weight | 187.06 |
| AlogP | -0.72 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 101.42 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4812-40-2 |
| NORMAN SUSDAT | |
| FDA SRS | 7RUI9488IL |
| PubChem | 121858 |
| ChemSpider | 108713.0 |
CONTENTS
