| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | B44H9MFH1S |
| EPA CompTox | DTXSID9044792 |
Structure
| InChI Key | VGHSXKTVMPXHNG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H4N2O2 |
| Molecular Weight | 160.03 |
| AlogP | 1.62 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 58.86 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 123-61-5 |
| NORMAN SUSDAT | |
| FDA SRS | B44H9MFH1S |
| PubChem | 31262 |
| ChemSpider | 29002.0 |
CONTENTS
