Base information
| Cat. No. | |
| CAS No. | 105990-27-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H18BrNO3 |
| Molecular Weight | 352.223 |
| Exact Mass | 351.047 |
| XLogP3 | 3.5198 |
| Mr | 91.1857 |
| PSA | 72.72 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 40 |
| Ring number | 3 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Oc1ccc(cc1)C[C@@H]1NCCc2c1cc(O)c(c2)O.Br |
