Base information
| Cat. No. | |
| CAS No. | 85223-03-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H13N3O8S2 |
| Molecular Weight | 451.43 |
| Exact Mass | 451.014 |
| XLogP3 | 6.06318 |
| Mr | 106.788 |
| PSA | 202.3 |
| Sequence | - |
| Atom number | 43 |
| Bond number | 44 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | [O-]S(=O)(=O)c1cccc2c1cccc2S(=O)(=O)O.N#[N+]c1ccc(cc1N(=O)=O)C |
