Base information
| Cat. No. | |
| CAS No. | 4399-55-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C40H28N7NaO13S4 |
| Molecular Weight | 965.939 |
| Exact Mass | 965.053 |
| XLogP3 | 14.8371 |
| Mr | 235.295 |
| PSA | 371.41 |
| Sequence | - |
| Atom number | 93 |
| Bond number | 99 |
| Ring number | 8 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | Nc1ccc2c(c1)cc(c(c2O)/N=N/c1ccc(c2c1cc(cc2)S(=O)(=O)O)/N=N/c1ccc(c2c1cccc2)/N=N\c1cc2c(c(c1)S(=O)(=O)O)cccc2S(=O)(=O)O)S(=O)(=O)O.[NaH] |
