Base information
| Cat. No. | |
| CAS No. | 221347-12-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H20NO6+ |
| Molecular Weight | 394.397 |
| Exact Mass | 394.129 |
| XLogP3 | 2.6333 |
| Mr | 108.975 |
| PSA | 66.23 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 53 |
| Ring number | 5 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1cc2OCOc2cc1C1=[N+](C)Cc2c(CC1=C)cc1c(c2)OCO1 |
