| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | PK9BKF3ANS |
| EPA CompTox | DTXSID80209216 |
Structure
| InChI Key | BITJKGFKDMCINV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H3N1O2 |
| Molecular Weight | 121.02 |
| AlogP | 0.99 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 54.0 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 6047-91-2 |
| NORMAN SUSDAT | |
| FDA SRS | PK9BKF3ANS |
| PubChem | 80147 |
| ChemSpider | 72396.0 |
CONTENTS
