Base information
| Cat. No. | |
| CAS No. | 85452-78-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H8N2 |
| Molecular Weight | 168.195 |
| Exact Mass | 168.069 |
| XLogP3 | 2.70468 |
| Mr | 52.9457 |
| PSA | 39.58 |
| Sequence | - |
| Atom number | 21 |
| Bond number | 22 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#C/C=C/c1c[nH]c2c1cccc2 |
