| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID4067642 |
Structure
| InChI Key | NTZMSBAAHBICLE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H3N3O2 |
| Molecular Weight | 173.02 |
| AlogP | 1.34 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 90.72 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 31643-49-9 |
| NORMAN SUSDAT | |
| PubChem | 97443 |
| ChemSpider | 87952.0 |
CONTENTS
