| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | UX0N37CMVH |
| EPA CompTox | DTXSID30183638 |
Structure
| InChI Key | PQCAUHUKTBHUSA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5N3O2 |
| Molecular Weight | 163.04 |
| AlogP | 1.47 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 71.82 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2942-42-9 |
| NORMAN SUSDAT | |
| FDA SRS | UX0N37CMVH |
| PubChem | 1893 |
| ChemSpider | 1821.0 |
CONTENTS
