Base information
| Cat. No. | |
| CAS No. | 12286-65-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H16CaN4O7S |
| Molecular Weight | 448.464 |
| Exact Mass | 448.037 |
| XLogP3 | 4.4235 |
| Mr | 101.374 |
| PSA | 179.46 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 45 |
| Ring number | 2 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | CC(=O)C(C(=O)Nc1ccccc1)/N=N/c1ccc(cc1N(=O)=O)S(=O)(=O)O.[CaH2] |
