Base information
| Cat. No. | |
| CAS No. | 123334-10-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H21CaN3O9S3 |
| Molecular Weight | 583.668 |
| Exact Mass | 583.007 |
| XLogP3 | 6.5455 |
| Mr | 131.836 |
| PSA | 264.14 |
| Sequence | - |
| Atom number | 57 |
| Bond number | 58 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | Cc1cc(cc(c1N)S(=O)(=O)O)C(=C1C=CC(=N)C(=C1)S(=O)(=O)O)c1ccc(c(c1)S(=O)(=O)O)N.[CaH2] |
