Base information
| Cat. No. | |
| CAS No. | 1313397-06-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C37H31Cl2N3O4S2 |
| Molecular Weight | 716.696 |
| Exact Mass | 715.113 |
| XLogP3 | 10.6753 |
| Mr | 197.124 |
| PSA | 137.52 |
| Sequence | - |
| Atom number | 79 |
| Bond number | 83 |
| Ring number | 6 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc(c(c1)Cl)C(C[n+]1ccn(c1)Cc1ccc(cc1)Sc1ccccc1)OCc1ccc(cc1)Sc1ccccc1.[O-]N(=O)=O |
