Base information
| Cat. No. | |
| CAS No. | 319016-04-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H12N2O |
| Molecular Weight | 224.258 |
| Exact Mass | 224.095 |
| XLogP3 | 3.38348 |
| Mr | 67.1927 |
| PSA | 45.05 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 30 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)Nc1ccc(cc1)C#N |
