Base information
| Cat. No. | |
| CAS No. | 12270-76-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C27H19ClN9Na3O9S3 |
| Molecular Weight | 814.112 |
| Exact Mass | 812.985 |
| XLogP3 | 9.0605 |
| Mr | 171.481 |
| PSA | 322.9 |
| Sequence | - |
| Atom number | 71 |
| Bond number | 72 |
| Ring number | 5 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | Nc1nc(nc(n1)Cl)Nc1ccc(c2c1c(ccc2)S(=O)(=O)[O-])/N=N/c1cc(C)c(cc1C)/N=N/c1cc(ccc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
