Base information
| Cat. No. | |
| CAS No. | 1061311-82-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H22BF4N3O |
| Molecular Weight | 419.223 |
| Exact Mass | 419.179 |
| XLogP3 | 1.0131 |
| Mr | 108.322 |
| PSA | 30.93 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 55 |
| Ring number | 5 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | [F-][B+3]([F-])([F-])[F-].Cc1cc(C)c(c(c1)C)[n+]1cn2c(n1)CO[C@@H]1[C@H]2c2ccccc2C1 |
