Base information
| Cat. No. | |
| CAS No. | 179107-93-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H18BrNO3 |
| Molecular Weight | 352.223 |
| Exact Mass | 351.047 |
| XLogP3 | 3.5921 |
| Mr | 86.5487 |
| PSA | 61.72 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 40 |
| Ring number | 2 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COc1cc(Br)c(cc1O)CNCCc1ccc(cc1)O |