Base information
| Cat. No. | |
| CAS No. | 53552-05-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H20ClNO6 |
| Molecular Weight | 417.84 |
| Exact Mass | 417.098 |
| XLogP3 | -0.3079 |
| Mr | 108.18 |
| PSA | 63.22 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 53 |
| Ring number | 6 |
| Rotor number | 1 |
| Residues number | 0 |
| Canonical smiles | O=C1O[C@@H](c2c1c1OCOc1cc2)[C@H]1c2cc3OCOc3cc2CC[N+]1(C)C.[Cl-] |
