Base information
| Cat. No. | |
| CAS No. | 12236-86-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C40H25CuN9O14S5 |
| Molecular Weight | 1079.55 |
| Exact Mass | 1077.94 |
| XLogP3 | 3.9324 |
| Mr | 260.909 |
| PSA | 405.49 |
| Sequence | - |
| Atom number | 94 |
| Bond number | 102 |
| Ring number | 10 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | OCCS(=O)(=O)c1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)/c/1=N/c3[n-]c(c4c3ccc(c4)S(=O)(=O)O)/N=C/3\N=C(/N=C/4\N=C(/N=c/2\[n-]1)c1cc(ccc41)S(=O)(=O)O)c1c3ccc(c1)S(=O)(=O)O.[Cu+2] |
