| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50193092 |
| InChI Key | BDSBSHZVSVKIHM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H10N2 |
| Molecular Weight | 170.08 |
| AlogP | 2.33 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 38.91 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 40034-44-4 |
| NORMAN SUSDAT | |
| PubChem | 459523 |
| ChemSpider | 404425.0 |