| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Y8SYN761TQ |
| EPA CompTox | DTXSID8020757 |
Structure
| InChI Key | TWBYWOBDOCUKOW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H5N1O2 |
| Molecular Weight | 123.03 |
| AlogP | 0.78 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 50.19 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 55-22-1 |
| NORMAN SUSDAT | |
| FDA SRS | Y8SYN761TQ |
| PubChem | 5922 |
| ChemSpider | 5709.0 |
CONTENTS
