Base information
| Cat. No. | |
| CAS No. | 111198-08-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H6N4 |
| Molecular Weight | 158.16 |
| Exact Mass | 158.059 |
| XLogP3 | 0.95488 |
| Mr | 43.346 |
| PSA | 54.5 |
| Sequence | - |
| Atom number | 18 |
| Bond number | 19 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CCn1nnc2c1cccc2 |
