Base information
| Cat. No. | |
| CAS No. | 12225-77-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C40H23ClN11Na5O18S5 |
| Molecular Weight | 1256.4 |
| Exact Mass | 1254.9 |
| XLogP3 | 10.6706 |
| Mr | 251.943 |
| PSA | 542.66 |
| Sequence | - |
| Atom number | 103 |
| Bond number | 105 |
| Ring number | 8 |
| Rotor number | 15 |
| Residues number | 0 |
| Canonical smiles | Clc1nc(Nc2ccc(c(c2)NC(=O)N)/N=N/c2cc3c(cc2S(=O)(=O)[O-])cc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-])nc(n1)Nc1cc(ccc1S(=O)(=O)[O-])Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+] |
