| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 18565KT6V3 |
| EPA CompTox | DTXSID30878916 |
Structure
| InChI Key | MYDVJLOKNIAHPH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.06 |
| AlogP | 0.79 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 35.01 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2882-21-5 |
| NORMAN SUSDAT | |
| FDA SRS | 18565KT6V3 |
| PubChem | 520395 |
CONTENTS
