Base information
| Cat. No. | |
| CAS No. | 6872-73-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H22ClNO4 |
| Molecular Weight | 399.867 |
| Exact Mass | 399.124 |
| XLogP3 | 1.0785 |
| Mr | 113.535 |
| PSA | 41.02 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 52 |
| Ring number | 4 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1cc2cc[n+]3c(c2cc1OC)cc1c(c3C)c(OC)c(cc1)OC.[Cl-] |
