Base information
| Cat. No. | |
| CAS No. | 12225-82-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C24H13Cl2N6Na3O10S3 |
| Molecular Weight | 781.465 |
| Exact Mass | 779.893 |
| XLogP3 | 5.7736 |
| Mr | 157.18 |
| PSA | 280.11 |
| Sequence | - |
| Atom number | 61 |
| Bond number | 62 |
| Ring number | 5 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | Clc1nc(nc(n1)Cl)N(c1ccc2c(c1)C=C(/C(=N/Nc1ccc3c(c1S(=O)(=O)[O-])cccc3S(=O)(=O)[O-])/C2=O)S(=O)(=O)[O-])C.[Na+].[Na+].[Na+] |
