Base information
| Cat. No. | |
| CAS No. | 104-85-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H7N |
| Molecular Weight | 117.148 |
| Exact Mass | 117.058 |
| XLogP3 | 1.86668 |
| Mr | 36.123 |
| PSA | 23.79 |
| Sequence | - |
| Atom number | 16 |
| Bond number | 16 |
| Ring number | 1 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#Cc1ccc(cc1)C |
