| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9DU54RB472 |
| EPA CompTox | DTXSID10149954 |
Structure
| InChI Key | CWHFDTWZHFRTAB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5N1O1 |
| Molecular Weight | 119.04 |
| AlogP | 1.55 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 33.02 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1122-85-6 |
| NORMAN SUSDAT | |
| FDA SRS | 9DU54RB472 |
| PubChem | 70740 |
| ChemSpider | 63905.0 |
CONTENTS
