Base information
| Cat. No. | |
| CAS No. | 2047352-89-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H10N2O |
| Molecular Weight | 222.242 |
| Exact Mass | 222.079 |
| XLogP3 | 2.69056 |
| Mr | 63.6575 |
| PSA | 64.65 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 28 |
| Ring number | 2 |
| Rotor number | 0 |
| Residues number | 0 |
| Canonical smiles | N#CC(=C1CC(=O)c2c1cc(C)c(c2)C)C#N |
