Base information
| Cat. No. | |
| CAS No. | 169036-66-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H8N2O |
| Molecular Weight | 196.205 |
| Exact Mass | 196.064 |
| XLogP3 | 2.16148 |
| Mr | 55.8715 |
| PSA | 45.79 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=Cc1cccn1c1ccc(cc1)C#N |
