Identifiers & Physical Properties
| CAS No. | 6956-41-8 |
|---|
| Molecular formula | C21H18N2O |
|---|
| Average molar mass | 314.4 g/mol |
|---|
| Monoisotopic mass | 314.1419132 g/mol |
|---|
| SMILES | Oc1ccccc1C1=NN(c2ccccc2)C(c2ccccc2)C1 |
|---|
| InChIKey | SGFFIDOKYSINHW-UHFFFAOYSA-N |
|---|
| PubChem CID | 248317 |
|---|
| ChEMBL | CHEMBL1578411 |
|---|
| DTXSID | DTXSID90418155 |
|---|
Chemical & Physical Properties
| XLogP | 4.7 |
|---|
| Topological polar surface area | 35.8 |
|---|
| Hydrogen bond donors | 1 |
|---|
| Hydrogen bond acceptors | 3 |
|---|
| Rotatable bonds | 3 |
|---|
| Heavy atoms | 24 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 437 |
|---|
| Solubility | 3.4 [ug/mL] (The mean of the results at pH 7.4) |
|---|