Base information
| Cat. No. | |
| CAS No. | 12222-63-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C27H22N6Na2O9S2 |
| Molecular Weight | 684.608 |
| Exact Mass | 684.069 |
| XLogP3 | 8.4501 |
| Mr | 156.193 |
| PSA | 243.68 |
| Sequence | - |
| Atom number | 68 |
| Bond number | 69 |
| Ring number | 4 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | COc1cc(/N=N/c2cccc(c2)S(=O)(=O)O)ccc1N/C(=N/c1ccc(cc1OC)/N=N/c1cccc(c1)S(=O)(=O)[O-])/[O-].[Na+].[Na+] |
