Base information
| Cat. No. | |
| CAS No. | 73564-69-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H8N2 |
| Molecular Weight | 180.205 |
| Exact Mass | 180.069 |
| XLogP3 | 1.8764 |
| Mr | 54.454 |
| PSA | 25.78 |
| Sequence | - |
| Atom number | 22 |
| Bond number | 23 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | n1ccc(cc1)C#Cc1ccncc1 |
