Base information
| Cat. No. | |
| CAS No. | 78510-31-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H12ClN2NaO5S |
| Molecular Weight | 450.827 |
| Exact Mass | 450.005 |
| XLogP3 | 5.0803 |
| Mr | 106.714 |
| PSA | 137.77 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 44 |
| Ring number | 4 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc(cc1)Nc1cc(c(c2c1C(=O)c1ccccc1C2=O)N)S(=O)(=O)[O-].[Na+] |
