| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID0043844 |
| InChI Key | WVYMEHMNEMRCEL-SFVWPUANSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H19N3 |
| Molecular Weight | 301.16 |
| AlogP | 4.11 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 75.89 |
| Heavy Atoms | 23.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3248-93-9 |
| NORMAN SUSDAT | |
| PubChem | 12448 |
| ChemSpider | 10618802.0 |