Base information
| Cat. No. | |
| CAS No. | 42854-62-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H21NO5S |
| Molecular Weight | 351.417 |
| Exact Mass | 351.114 |
| XLogP3 | 4.0998 |
| Mr | 91.0882 |
| PSA | 115.07 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 45 |
| Ring number | 2 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | C[C@@H](C(=O)OCc1ccccc1)N.Cc1ccc(cc1)S(=O)(=O)O |
