Base information
| Cat. No. | |
| CAS No. | 12226-74-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C26H16N3Na3O10S3 |
| Molecular Weight | 695.584 |
| Exact Mass | 694.969 |
| XLogP3 | 7.8853 |
| Mr | 147.661 |
| PSA | 253.72 |
| Sequence | - |
| Atom number | 61 |
| Bond number | 62 |
| Ring number | 5 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | Oc1cc(cc2c1c(/N=N/c1ccc(c3c1cccc3S(=O)(=O)[O-])Nc1ccccc1)cc(c2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
