| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 29IRK301OW |
| EPA CompTox | DTXSID10203540 |
Structure
| InChI Key | SSHIVHKMGVBXTJ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H7N1O3 |
| Molecular Weight | 189.04 |
| AlogP | 2.45 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 63.37 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 550-60-7 |
| NORMAN SUSDAT | |
| FDA SRS | 29IRK301OW |
| PubChem | 11075 |
| ChemSpider | 10604.0 |
CONTENTS
