Base information
| Cat. No. | |
| CAS No. | 3618-60-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H12ClN2NaO6S |
| Molecular Weight | 418.784 |
| Exact Mass | 418 |
| XLogP3 | 5.4654 |
| Mr | 96.6158 |
| PSA | 148.16 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 40 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Clc1cc(/N=N/c2ccc3c(c2O)cccc3O)c(c(c1)S(=O)(=O)O)O.[NaH] |
