| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NG7YBE84EN |
| EPA CompTox | DTXSID50220094 |
Structure
| InChI Key | BJBGAAAJTDQABC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5N1O3 |
| Molecular Weight | 139.03 |
| AlogP | 1.5 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 69.89 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 698-31-7 |
| NORMAN SUSDAT | |
| FDA SRS | NG7YBE84EN |
| PubChem | 120338 |
| ChemSpider | 107430.0 |
CONTENTS
