| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | S38KW7L6HY |
| EPA CompTox | DTXSID10222872 |
| InChI Key | YZKQBUWNKRTZQC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C18H21N3O2 |
| Molecular Weight | 311.16 |
| AlogP | 3.67 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 58.41 |
| Heavy Atoms | 23.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 7255-89-2 |
| NORMAN SUSDAT | |
| FDA SRS | S38KW7L6HY |
| PubChem | 81675 |
| ChemSpider | 73698.0 |