Base information
| Cat. No. | |
| CAS No. | 4775-80-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C11H13NO3S |
| Molecular Weight | 239.291 |
| Exact Mass | 239.062 |
| XLogP3 | 1.7589 |
| Mr | 62.1645 |
| PSA | 91.7 |
| Sequence | - |
| Atom number | 29 |
| Bond number | 29 |
| Ring number | 1 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | OC(=O)[C@@H](NC(=O)C)CSc1ccccc1 |
