| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID10337399 |
Structure
| InChI Key | QEIXBXXKTUNWDK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9N3O1 |
| Molecular Weight | 163.07 |
| AlogP | 1.04 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 39.94 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 71878-80-3 |
| NORMAN SUSDAT | |
| PubChem | 542390 |
| ChemSpider | 472332.0 |
CONTENTS
