Base information
| Cat. No. | |
| CAS No. | 85187-33-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C26H19BrN4Na2O9S3 |
| Molecular Weight | 753.529 |
| Exact Mass | 751.929 |
| XLogP3 | 8.5305 |
| Mr | 158.405 |
| PSA | 253.52 |
| Sequence | - |
| Atom number | 64 |
| Bond number | 65 |
| Ring number | 4 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | BrC(=C)C(=O)Nc1ccc(c(c1)S(=O)(=O)c1ccc(c(c1)S(=O)(=O)[O-])C)/N=N/c1c(N)ccc2c1ccc(c2)S(=O)(=O)[O-].[Na+].[Na+] |
