| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3X996Q809V |
| EPA CompTox | DTXSID9049324 |
Structure
| InChI Key | ASSKVPFEZFQQNQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5N1O2 |
| Molecular Weight | 135.03 |
| AlogP | 1.53 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 46.26 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 59-49-4 |
| NORMAN SUSDAT | |
| FDA SRS | 3X996Q809V |
| PubChem | 6043 |
| ChemSpider | 5820.0 |
CONTENTS
