Base information
| Cat. No. | |
| CAS No. | 13011-68-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H12CuN6NaO8S |
| Molecular Weight | 558.924 |
| Exact Mass | 557.963 |
| XLogP3 | 6.1732 |
| Mr | 118.815 |
| PSA | 252.72 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 50 |
| Ring number | 5 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Oc1ccc2c(c1/N=N/c1ccc(c(c1)N)N(=O)=O)[O-][Cu+2]1N(=N2)c2c([O-]1)ccc(c2)S(=O)(=O)[O-].[Na+] |
