Base information
| Cat. No. | |
| CAS No. | 111928-38-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H13NO |
| Molecular Weight | 235.281 |
| Exact Mass | 235.1 |
| XLogP3 | 3.79008 |
| Mr | 72.225 |
| PSA | 33.02 |
| Sequence | - |
| Atom number | 31 |
| Bond number | 32 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | C=CCOc1ccc(cc1)c1ccc(cc1)C#N |
