Base information
| Cat. No. | |
| CAS No. | 1185240-53-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C30H14Cl3D18NO |
| Molecular Weight | 547.051 |
| Exact Mass | 545.268 |
| XLogP3 | 9.1517 |
| Mr | 152.61 |
| PSA | 23.47 |
| Sequence | - |
| Atom number | 67 |
| Bond number | 70 |
| Ring number | 4 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | Clc1cc(C(CN(C(C(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])C(C(C(C([2H])([2H])[2H])([2H])[2H])([2H])[2H])([2H])[2H])O)c2-c3c(/C(=C/c4ccc(cc4)Cl)/c2c1)cc(cc3)Cl |
