Base information
| Cat. No. | |
| CAS No. | 12225-98-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C19H16BrN4NaO7S2 |
| Molecular Weight | 579.377 |
| Exact Mass | 577.954 |
| XLogP3 | 7.1062 |
| Mr | 126.316 |
| PSA | 205.34 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 51 |
| Ring number | 3 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | BrC(=C)C(=O)Nc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(N)ccc2c1ccc(c2)S(=O)(=O)O.[NaH] |
