| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7033583N3J |
| EPA CompTox | DTXSID1020984 |
Structure
| InChI Key | SMHPLBXIVNQFBA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6N2O2 |
| Molecular Weight | 174.04 |
| AlogP | 2.14 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 56.03 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 613-50-3 |
| NORMAN SUSDAT | |
| FDA SRS | 7033583N3J |
| PubChem | 11945 |
| ChemSpider | 11451.0 |
CONTENTS
