| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BF6HH4UQR9 |
| EPA CompTox | DTXSID40205936 |
Structure
| InChI Key | ZIJZDNKZJZUROE-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7N1O2 |
| Molecular Weight | 149.05 |
| AlogP | 0.94 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Polar Surface Area | 52.32 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 57319-65-0 |
| NORMAN SUSDAT | |
| FDA SRS | BF6HH4UQR9 |
| PubChem | 93631 |
| ChemSpider | 84519.0 |
CONTENTS
