Base information
| Cat. No. | |
| CAS No. | 77021-80-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H12N6 |
| Molecular Weight | 288.307 |
| Exact Mass | 288.112 |
| XLogP3 | 3.34216 |
| Mr | 86.9714 |
| PSA | 96.36 |
| Sequence | - |
| Atom number | 34 |
| Bond number | 35 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | N#C/N=C/Nc1ccc(cc1)c1ccc(cc1)N/C=N/C#N |
