Base information
| Cat. No. | |
| CAS No. | 8063-57-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C44H23Cl2Cu2N13Na2O23S6----- |
| Molecular Weight | 1538.09 |
| Exact Mass | 1534.71 |
| XLogP3 | 12.1258 |
| Mr | 300.229 |
| PSA | 676.82 |
| Sequence | - |
| Atom number | 115 |
| Bond number | 124 |
| Ring number | 13 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | Clc1nc(nc(n1)Oc1ccccc1)Nc1cc(cc2c1c1[O-][Cu+]3N(=Nc4c([O-]3)ccc(c4)S(=O)(=O)[O-])c1c(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].Nc1nc(nc(n1)Cl)Nc1cc(cc2c1c1[O-][Cu+2]3N(=Nc4c([O-]3)ccc(c4)S(=O)(=O)[O-])c1c(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
