Base information
| Cat. No. | |
| CAS No. | 21288-34-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H11NO |
| Molecular Weight | 221.254 |
| Exact Mass | 221.084 |
| XLogP3 | 2.98368 |
| Mr | 65.8385 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 28 |
| Bond number | 29 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#CCc1cccc(c1)C(=O)c1ccccc1 |
