Base information
| Cat. No. | |
| CAS No. | 6625-46-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C19H15N3Na2O9S2 |
| Molecular Weight | 539.447 |
| Exact Mass | 539.005 |
| XLogP3 | 4.9706 |
| Mr | 113.408 |
| PSA | 214.44 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 50 |
| Ring number | 3 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | COc1ccccc1/N=N/c1c(O)c2c(NC(=O)C)cc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
