Base information
| Cat. No. | |
| CAS No. | 1027638-96-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H24BrNO4 |
| Molecular Weight | 434.324 |
| Exact Mass | 433.089 |
| XLogP3 | -1.5912 |
| Mr | 109.607 |
| PSA | 66.76 |
| Sequence | - |
| Atom number | 51 |
| Bond number | 55 |
| Ring number | 6 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | O=C1C=C[C@@]2([C@@]34[C@@H]1Oc1c4c(C[C@H]2[N+](CC3)(C)CC2CC2)ccc1O)O.[Br-] |
