Base information
| Cat. No. | |
| CAS No. | 57164-98-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C8H10N2O5S |
| Molecular Weight | 246.24 |
| Exact Mass | 246.031 |
| XLogP3 | 2.6519 |
| Mr | 60.0257 |
| PSA | 109.6 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 26 |
| Ring number | 1 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1cc(ccc1NS(=O)(=O)C)[N+](=O)[O-] |
