| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40632349 |
| InChI Key | OALPQSAJOMDTDB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C16H15N3O1 |
| Molecular Weight | 265.12 |
| AlogP | 2.08 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 58.69 |
| Heavy Atoms | 20.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 4959-16-4 |
| NORMAN SUSDAT | |
| PubChem | 23275339 |
| ChemSpider | 10441019.0 |