Base information
| Cat. No. | |
| CAS No. | 548-80-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H12N3NaO10S2 |
| Molecular Weight | 493.4 |
| Exact Mass | 492.986 |
| XLogP3 | 5.8653 |
| Mr | 108.264 |
| PSA | 236.5 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 45 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | O=N(=O)c1ccc(cc1)/N=N/c1c(O)c2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O.[NaH] |
