Base information
| Cat. No. | |
| CAS No. | 5281-04-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H16CaN2O6S |
| Molecular Weight | 428.472 |
| Exact Mass | 428.035 |
| XLogP3 | 5.5199 |
| Mr | 100.597 |
| PSA | 145 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 45 |
| Ring number | 3 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Cc1ccc(c(c1)S(=O)(=O)O)/N=N/c1c(O)c(cc2c1cccc2)C(=O)O.[CaH2] |
