Base information
| Cat. No. | |
| CAS No. | 12226-22-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C27H19ClN7Na3O10S3 |
| Molecular Weight | 802.098 |
| Exact Mass | 800.974 |
| XLogP3 | 8.0039 |
| Mr | 168.026 |
| PSA | 304.42 |
| Sequence | - |
| Atom number | 70 |
| Bond number | 71 |
| Ring number | 5 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | Cc1ccc(cc1)Nc1nc(Cl)nc(n1)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])/N=N/c1ccc(cc1S(=O)(=O)[O-])C)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
