Base information
| Cat. No. | |
| CAS No. | 85650-56-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H20ClNO5 |
| Molecular Weight | 401.84 |
| Exact Mass | 401.103 |
| XLogP3 | 3.9082 |
| Mr | 109.316 |
| PSA | 87.07 |
| Sequence | - |
| Atom number | 48 |
| Bond number | 50 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc2c(c1)[C@H]1CN(C[C@@H]1c1c(O2)cccc1)C.OC(=O)/C=C\C(=O)O |
