Base information
| Cat. No. | |
| CAS No. | 12226-33-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H15BrN4Na2O8S2 |
| Molecular Weight | 629.369 |
| Exact Mass | 627.931 |
| XLogP3 | 3.8857 |
| Mr | 127.588 |
| PSA | 213.75 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 52 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | C/N=C/1\C=CC2=CC(=CC(=O)C2=C1NNc1ccc(cc1S(=O)(=O)[O-])NC(=O)C(=C)Br)S(=O)(=O)[O-].[Na+].[Na+] |
