Base information
| Cat. No. | |
| CAS No. | 56431-61-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H13N4NaO9S2 |
| Molecular Weight | 492.416 |
| Exact Mass | 492.002 |
| XLogP3 | 6.3231 |
| Mr | 110.645 |
| PSA | 242.29 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 46 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | O=N(=O)c1ccc(cc1)/N=N/c1c(N)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[NaH] |
