Base information
| Cat. No. | |
| CAS No. | 1206-85-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9N3 |
| Molecular Weight | 195.22 |
| Exact Mass | 195.08 |
| XLogP3 | 2.22684 |
| Mr | 55.485 |
| PSA | 71.37 |
| Sequence | - |
| Atom number | 24 |
| Bond number | 24 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1c(C)c(C#N)c(c(c1C)C#N)C |
