Base information
| Cat. No. | |
| CAS No. | 129423-54-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H17CaClN4O7S2 |
| Molecular Weight | 529 |
| Exact Mass | 527.985 |
| XLogP3 | 4.904 |
| Mr | 120.114 |
| PSA | 182.89 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 50 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | CC1=NN(C(=O)C1/N=N/c1cc(Cl)c(cc1S(=O)(=O)O)C)c1cccc(c1)S(=O)(=O)O.[CaH2] |
