Base information
| Cat. No. | |
| CAS No. | 5850-39-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H16N6Na2O7S2 |
| Molecular Weight | 586.508 |
| Exact Mass | 586.032 |
| XLogP3 | 7.6728 |
| Mr | 132.031 |
| PSA | 252.87 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 56 |
| Ring number | 4 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | Nc1ccc(cc1)/N=N/c1c(N)c2c(cc1S(=O)(=O)[O-])cc(c(c2O)/N=N/c1ccccc1)S(=O)(=O)[O-].[Na+].[Na+] |
