Base information
| Cat. No. | |
| CAS No. | 139481-28-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H17N3O4 |
| Molecular Weight | 387.388 |
| Exact Mass | 387.122 |
| XLogP3 | 5.12838 |
| Mr | 110.487 |
| PSA | 107.94 |
| Sequence | - |
| Atom number | 46 |
| Bond number | 48 |
| Ring number | 3 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cccc(c1NCc1ccc(cc1)c1ccccc1C#N)[N+](=O)[O-] |
