Base information
| Cat. No. | |
| CAS No. | 171869-95-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H24ClNO5 |
| Molecular Weight | 405.872 |
| Exact Mass | 405.134 |
| XLogP3 | 0.3245 |
| Mr | 110.696 |
| PSA | 50.03 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 53 |
| Ring number | 4 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1cc2CC[n+]3c(-c2cc1OC)cc1c(c3)c(OC)c(cc1)OC.[Cl-].O |
