Base information
| Cat. No. | |
| CAS No. | 116-34-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C14H15N3O4S |
| Molecular Weight | 321.352 |
| Exact Mass | 321.078 |
| XLogP3 | 4.5774 |
| Mr | 86.4904 |
| PSA | 117.6 |
| Sequence | - |
| Atom number | 37 |
| Bond number | 38 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CCN(S(=O)(=O)c1cc(ccc1N)[N+](=O)[O-])c1ccccc1 |
