Base information
| Cat. No. | |
| CAS No. | 138908-40-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H18ClNNa2O7 |
| Molecular Weight | 465.792 |
| Exact Mass | 465.057 |
| XLogP3 | -0.0476 |
| Mr | 99.4705 |
| PSA | 130.98 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 49 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | C[C@H](Cc1ccc2c(c1)OC(O2)(C(=O)[O-])C(=O)[O-])NC[C@@H](c1cccc(c1)Cl)O.[Na+].[Na+] |
