Base information
| Cat. No. | |
| CAS No. | 6226-79-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H17N4NaO13S4 |
| Molecular Weight | 696.639 |
| Exact Mass | 695.957 |
| XLogP3 | 8.7987 |
| Mr | 147.754 |
| PSA | 320.67 |
| Sequence | - |
| Atom number | 61 |
| Bond number | 63 |
| Ring number | 4 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | Oc1c(/N=N/c2ccc(cc2S(=O)(=O)O)/N=N/c2ccc(cc2)S(=O)(=O)O)c2ccc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[NaH] |
