Base information
| Cat. No. | |
| CAS No. | 1313397-05-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C24H21Cl2N3O4S |
| Molecular Weight | 518.412 |
| Exact Mass | 517.063 |
| XLogP3 | 6.2996 |
| Mr | 137.342 |
| PSA | 123.22 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 57 |
| Ring number | 4 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | Clc1ccc(c(c1)Cl)C(C[n+]1ccn(c1)Cc1ccc(cc1)Sc1ccccc1)O.[O-]N(=O)=O |
