| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | Z612E3VMZ5 |
| EPA CompTox | DTXSID50172483 |
Structure
| InChI Key | KXYBYRKRRGSZCX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H9N1O1 |
| Molecular Weight | 159.07 |
| AlogP | 1.99 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 22.0 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 19012-03-4 |
| NORMAN SUSDAT | |
| FDA SRS | Z612E3VMZ5 |
| PubChem | 87894 |
| ChemSpider | 79297.0 |
CONTENTS
