Base information
| Cat. No. | |
| CAS No. | 2688-22-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H14N2O4S |
| Molecular Weight | 318.348 |
| Exact Mass | 318.067 |
| XLogP3 | 3.8015 |
| Mr | 85.6595 |
| PSA | 120.45 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 37 |
| Ring number | 2 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | OC(=O)[C@H](Cc1ccccc1)NSc1ccccc1[N+](=O)[O-] |
