Base information
| Cat. No. | |
| CAS No. | 7685-67-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H16N2O4S |
| Molecular Weight | 284.331 |
| Exact Mass | 284.083 |
| XLogP3 | 3.6049 |
| Mr | 75.5935 |
| PSA | 120.45 |
| Sequence | - |
| Atom number | 35 |
| Bond number | 35 |
| Ring number | 1 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | CC(C[C@@H](C(=O)O)NSc1ccccc1[N+](=O)[O-])C |
