Base information
| Cat. No. | |
| CAS No. | 655233-39-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H20ClN3O6S |
| Molecular Weight | 441.886 |
| Exact Mass | 441.076 |
| XLogP3 | 3.2769 |
| Mr | 112.935 |
| PSA | 152.98 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 51 |
| Ring number | 4 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | O=C1[C@@H](N)[C@@H]2N1C(=C(CS2)[C@@H]1CCCO1)C(=O)OCc1ccc(cc1)[N+](=O)[O-].Cl |
