| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 5LH2P0691E |
| EPA CompTox | DTXSID9058949 |
Structure
| InChI Key | BDQNKCYCTYYMAA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H7N1O1 |
| Molecular Weight | 169.05 |
| AlogP | 2.81 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 29.43 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 86-84-0 |
| NORMAN SUSDAT | |
| FDA SRS | 5LH2P0691E |
| PubChem | 66589 |
| ChemSpider | 59958.0 |
CONTENTS
