Base information
| Cat. No. | |
| CAS No. | 5858-58-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H12N3NaO7S |
| Molecular Weight | 413.337 |
| Exact Mass | 413.029 |
| XLogP3 | 5.5378 |
| Mr | 98.4048 |
| PSA | 173.75 |
| Sequence | - |
| Atom number | 40 |
| Bond number | 41 |
| Ring number | 3 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Oc1ccc(cc1/N=N/c1ccc2c(c1O)cccc2S(=O)(=O)O)N(=O)=O.[NaH] |
