| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID1067960 |
Structure
| InChI Key | PWHUPFOHNXWYSH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H9N3O1 |
| Molecular Weight | 151.07 |
| AlogP | 0.66 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 69.0 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 36226-32-1 |
| NORMAN SUSDAT | |
| PubChem | 118929 |
| ChemSpider | 106273.0 |
CONTENTS
