| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30171313 |
Structure
| InChI Key | RENCFAVKFWOLJJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H9N3O4 |
| Molecular Weight | 259.06 |
| AlogP | 3.25 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 98.31 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18264-71-6 |
| NORMAN SUSDAT | |
| PubChem | 87533 |
| ChemSpider | 78965.0 |
CONTENTS
