Base information
| Cat. No. | |
| CAS No. | 84466-87-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6N4 |
| Molecular Weight | 158.16 |
| Exact Mass | 158.059 |
| XLogP3 | 1.82134 |
| Mr | 40.944 |
| PSA | 73.54 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 18 |
| Ring number | 1 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1)CN=[N+]=[N-] |
