Base information
| Cat. No. | |
| CAS No. | 12236-82-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C29H20ClN7O11S3 |
| Molecular Weight | 774.157 |
| Exact Mass | 773.007 |
| XLogP3 | 7.8961 |
| Mr | 180.756 |
| PSA | 323.17 |
| Sequence | - |
| Atom number | 71 |
| Bond number | 76 |
| Ring number | 6 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | OS(=O)(=O)c1cc(Nc2ccc(c(c2)S(=O)(=O)O)Nc2nc(Cl)nc(n2)Nc2cccc(c2)S(=O)(=O)O)c2c(c1N)C(=O)c1c(C2=O)cccc1 |
