Base information
| Cat. No. | |
| CAS No. | 103-31-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H11N |
| Molecular Weight | 181.233 |
| Exact Mass | 181.089 |
| XLogP3 | 3.252 |
| Mr | 59.607 |
| PSA | 12.89 |
| Sequence | - |
| Atom number | 25 |
| Bond number | 26 |
| Ring number | 2 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | c1ccc(cc1)C=Cc1ccncc1 |
