| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | VRD2L6RM16 |
| EPA CompTox | DTXSID3063045 |
Structure
| InChI Key | QEJPOSAIULNDLU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H9N1O2 |
| Molecular Weight | 199.06 |
| AlogP | 2.3 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 39.19 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3468-53-9 |
| NORMAN SUSDAT | |
| FDA SRS | VRD2L6RM16 |
| PubChem | 77018 |
| ChemSpider | 69464.0 |
CONTENTS
