Base information
| Cat. No. | |
| CAS No. | 25747-08-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H13N3O7S |
| Molecular Weight | 439.398 |
| Exact Mass | 439.047 |
| XLogP3 | 6.5785 |
| Mr | 114.799 |
| PSA | 173.75 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 47 |
| Ring number | 4 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Oc1cc(c2c(c1N=Nc1ccc3c(c1O)cccc3)ccc(c2)[N+](=O)[O-])S(=O)(=O)O |
