| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Y444TA4HYW |
| EPA CompTox | DTXSID50175555 |
Structure
| InChI Key | MHKMCTCMEDUINO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C15H11N1O1 |
| Molecular Weight | 221.08 |
| AlogP | 2.98 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 40.86 |
| Heavy Atoms | 17.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 21288-34-6 |
| NORMAN SUSDAT | |
| FDA SRS | Y444TA4HYW |
| PubChem | 88857 |
| ChemSpider | 80177.0 |
CONTENTS
