| Keyword(s): | Human Metabolites |
| Molecule Category | Salt-form |
| UNII | 9YSE0U52IW |
| EPA CompTox | DTXSID30205768 |
Structure
| InChI Key | CDEWHBGYSWJUFP-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H9N1O2 |
| Molecular Weight | 187.06 |
| AlogP | 2.14 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 50.19 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 57130-91-3 |
| NORMAN SUSDAT | |
| FDA SRS | 9YSE0U52IW |
| PubChem | 57358260 |
| ChemSpider | 149980.0 |
CONTENTS
