| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 427GZ7WL5L |
| EPA CompTox | DTXSID3061059 |
Structure
| InChI Key | ARMSTQBMUHJXHU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H10N2O3 |
| Molecular Weight | 242.07 |
| AlogP | 3.23 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 75.73 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 728-90-5 |
| NORMAN SUSDAT | |
| FDA SRS | 427GZ7WL5L |
| PubChem | 69769 |
| ChemSpider | 62968.0 |
CONTENTS
