Base information
| Cat. No. | |
| CAS No. | 192203-60-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C13H15NO6S |
| Molecular Weight | 313.326 |
| Exact Mass | 313.062 |
| XLogP3 | 2.2058 |
| Mr | 75.6243 |
| PSA | 138.23 |
| Sequence | - |
| Atom number | 36 |
| Bond number | 36 |
| Ring number | 1 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)SC(=O)N[C@H](C(=O)O)CCC(=O)O |
