| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3J43L4VV2A |
| EPA CompTox | DTXSID30179677 |
Structure
| InChI Key | HGZJJKZPPMFIBU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H5N1O1 |
| Molecular Weight | 131.04 |
| AlogP | 1.37 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 40.86 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 24964-64-5 |
| NORMAN SUSDAT | |
| FDA SRS | 3J43L4VV2A |
| PubChem | 90670 |
| ChemSpider | 81863.0 |
CONTENTS
