| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40192317 |
| InChI Key | RXCOGDYOZQGGMK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H12N2O1 |
| Molecular Weight | 212.09 |
| AlogP | 2.08 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 69.11 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 39070-63-8 |
| NORMAN SUSDAT | |
| PubChem | 135520 |
| ChemSpider | 119375.0 |