Base information
| Cat. No. | |
| CAS No. | 12769-09-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C19H14ClN4Na3O12S3 |
| Molecular Weight | 690.951 |
| Exact Mass | 689.915 |
| XLogP3 | 2.4761 |
| Mr | 133.901 |
| PSA | 280.43 |
| Sequence | - |
| Atom number | 56 |
| Bond number | 55 |
| Ring number | 3 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | CC1=NN(C(=O)C1/N=N/c1cc(C(=O)[O-])c(cc1S(=O)(=O)[O-])Cl)c1ccc(cc1)S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+] |
