| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7CR2X86CGF |
| EPA CompTox | DTXSID90176687 |
| InChI Key | JYHNHWMZIXPAEL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H15N1 |
| Molecular Weight | 221.12 |
| AlogP | 4.12 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 22156-48-5 |
| NORMAN SUSDAT | |
| FDA SRS | 7CR2X86CGF |
| PubChem | 89610 |
| ChemSpider | 80878.0 |