| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4QKT535WUA |
| EPA CompTox | DTXSID7060706 |
Structure
| InChI Key | NKJIFDNZPGLLSH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H4N2O2 |
| Molecular Weight | 148.03 |
| AlogP | 1.47 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 66.93 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 619-72-7 |
| NORMAN SUSDAT | |
| FDA SRS | 4QKT535WUA |
| PubChem | 12090 |
| ChemSpider | 11593.0 |
CONTENTS
