Base information
| Cat. No. | |
| CAS No. | 2109805-70-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H8N2O |
| Molecular Weight | 244.248 |
| Exact Mass | 244.064 |
| XLogP3 | 3.22696 |
| Mr | 71.2315 |
| PSA | 64.65 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 29 |
| Ring number | 3 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#CC(=C1CC(=O)c2c1cc1ccccc1c2)C#N |
