| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | DG9PY6W3QK |
| EPA CompTox | DTXSID1063855 |
Structure
| InChI Key | BOSVWXDDFBSSIZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N2O1 |
| Molecular Weight | 136.06 |
| AlogP | 1.34 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 56.81 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5417-82-3 |
| NORMAN SUSDAT | |
| FDA SRS | DG9PY6W3QK |
| PubChem | 79450 |
| ChemSpider | 41176.0 |
CONTENTS
