| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | A8M33244M6 |
| EPA CompTox | DTXSID4046284 |
Structure
| InChI Key | RJIWZDNTCBHXAL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H6N2O3 |
| Molecular Weight | 190.04 |
| AlogP | 1.85 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 76.26 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4008-48-4 |
| NORMAN SUSDAT | |
| FDA SRS | A8M33244M6 |
| PubChem | 19910 |
| ChemSpider | 18756.0 |
CONTENTS
