Base information
| Cat. No. | |
| CAS No. | 116539-59-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H20ClNOS |
| Molecular Weight | 333.876 |
| Exact Mass | 333.095 |
| XLogP3 | 5.8238 |
| Mr | 96.9917 |
| PSA | 49.5 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 43 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CNCC[C@@H](c1cccs1)Oc1cccc2c1cccc2.Cl |
