| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3ICU1C15OY |
| EPA CompTox | DTXSID1044776 |
Structure
| InChI Key | AEPWOCLBLLCOGZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H7N1O2 |
| Molecular Weight | 125.05 |
| AlogP | 0.63 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 50.09 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 106-71-8 |
| NORMAN SUSDAT | |
| FDA SRS | 3ICU1C15OY |
| PubChem | 7825 |
| ChemSpider | 7537.0 |
CONTENTS
