Base information
| Cat. No. | |
| CAS No. | 61-75-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H24BrNO3S |
| Molecular Weight | 414.357 |
| Exact Mass | 413.066 |
| XLogP3 | 5.0253 |
| Mr | 100.126 |
| PSA | 65.58 |
| Sequence | - |
| Atom number | 48 |
| Bond number | 48 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Cc1ccc(cc1)S(=O)(=O)[O-].CC[N+](Cc1ccccc1Br)(C)C |
