Base information
| Cat. No. | |
| CAS No. | 42872-30-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H13NO |
| Molecular Weight | 235.281 |
| Exact Mass | 235.1 |
| XLogP3 | 3.54468 |
| Mr | 70.6455 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 32 |
| Ring number | 2 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | N#CC(c1cccc(c1)C(=O)c1ccccc1)C |
