Base information
| Cat. No. | |
| CAS No. | 83420-57-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H9N |
| Molecular Weight | 179.217 |
| Exact Mass | 179.073 |
| XLogP3 | 2.7299 |
| Mr | 57.608 |
| PSA | 12.89 |
| Sequence | - |
| Atom number | 23 |
| Bond number | 24 |
| Ring number | 2 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | C#Cc1ccc(cc1)c1ccncc1 |
