Base information
| Cat. No. | |
| CAS No. | 81181-91-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H19ClN2O7 |
| Molecular Weight | 446.838 |
| Exact Mass | 446.088 |
| XLogP3 | 1.5011 |
| Mr | 110.694 |
| PSA | 161.39 |
| Sequence | - |
| Atom number | 50 |
| Bond number | 53 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | CN([C@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1Cc1cc3c(Cl)ccc(c3c(c1C2=O)O)O)O)O)C |
