Base information
| Cat. No. | |
| CAS No. | 106861-44-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C58H80ClN2O14+ |
| Molecular Weight | 1064.71 |
| Exact Mass | 1063.53 |
| XLogP3 | 5.9506 |
| Mr | 300.125 |
| PSA | 144.9 |
| Sequence | - |
| Atom number | 155 |
| Bond number | 159 |
| Ring number | 6 |
| Rotor number | 30 |
| Residues number | 0 |
| Canonical smiles | COc1cc2c(cc1OC)CC[N+]([C@@H]2Cc1cc(OC)c(c(c1)OC)OC)(C)CCCOC(=O)CC/C=C/CCC(=O)OCCC[N+]1(C)CCc2c([C@H]1Cc1cc(OC)c(c(c1)OC)OC)cc(c(c2)OC)OC.[Cl-] |
