Base information
| Cat. No. | |
| CAS No. | 68259-02-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C25H20ClN10NaO16S5 |
| Molecular Weight | 935.251 |
| Exact Mass | 933.925 |
| XLogP3 | 10.108 |
| Mr | 194.36 |
| PSA | 486.16 |
| Sequence | - |
| Atom number | 78 |
| Bond number | 81 |
| Ring number | 5 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | OS(=O)(=O)c1ccc(cc1/N=N/c1c(O)c2c(cc1S(=O)(=O)O)cc(c(c2N)/N=N/c1cc(ccc1S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)Nc1nc(N)nc(n1)Cl.[NaH] |
