Base information
| Cat. No. | |
| CAS No. | 12238-00-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C26H17ClN7Na3O10S3 |
| Molecular Weight | 788.071 |
| Exact Mass | 786.958 |
| XLogP3 | 7.3384 |
| Mr | 162.995 |
| PSA | 295.63 |
| Sequence | - |
| Atom number | 67 |
| Bond number | 68 |
| Ring number | 5 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | Clc1nc(nc(n1)N(c1ccccc1)C)Nc1cc(cc2c1c(O)c(c(c2)S(=O)(=O)[O-])/N=N/c1ccccc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
