Base information
| Cat. No. | |
| CAS No. | 85985-43-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H9NO |
| Molecular Weight | 231.249 |
| Exact Mass | 231.068 |
| XLogP3 | 3.69928 |
| Mr | 71.3975 |
| PSA | 40.86 |
| Sequence | - |
| Atom number | 27 |
| Bond number | 29 |
| Ring number | 3 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | N#CC(=O)c1cccc2c1cc1ccccc1c2 |
