| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20172495 |
Structure
| InChI Key | BKJAXBDANXXYKI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H5N3O5 |
| Molecular Weight | 223.02 |
| AlogP | 1.38 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 119.3 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 19019-04-6 |
| NORMAN SUSDAT | |
| PubChem | 87898 |
| ChemSpider | 79301.0 |
CONTENTS
