| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80608684 |
Structure
| InChI Key | INUMMPHTUPBOEU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H13N1 |
| Molecular Weight | 255.1 |
| AlogP | 5.06 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.89 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 98578-19-9 |
| NORMAN SUSDAT | |
| PubChem | 20558753 |
| ChemSpider | 11195472.0 |
CONTENTS
