Base information
| Cat. No. | |
| CAS No. | 749872-43-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H18N2O7S |
| Molecular Weight | 382.388 |
| Exact Mass | 382.083 |
| XLogP3 | 2.4007 |
| Mr | 95.042 |
| PSA | 134.95 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 45 |
| Ring number | 2 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | O=C(C=Cc1cccc(c1)[N+](=O)[O-])OCC(=O)N(C1CCS(=O)(=O)C1)C |
