Base information
| Cat. No. | |
| CAS No. | 10114-47-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C28H18N4Na2O6S4 |
| Molecular Weight | 680.705 |
| Exact Mass | 679.99 |
| XLogP3 | 9.242 |
| Mr | 160.235 |
| PSA | 238.14 |
| Sequence | - |
| Atom number | 62 |
| Bond number | 65 |
| Ring number | 6 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | Cc1ccc2c(c1S(=O)(=O)[O-])sc(n2)c1ccc(cc1)/N=N/c1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)[O-].[Na+].[Na+] |
