Base information
| Cat. No. | |
| CAS No. | 6764-27-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H12N3NaO4S2 |
| Molecular Weight | 409.415 |
| Exact Mass | 409.017 |
| XLogP3 | 4.18178 |
| Mr | 96.8981 |
| PSA | 159.6 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 40 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | N#CCC(=O)Nc1ccc(cc1)c1nc2c(s1)c(c(cc2)C)S(=O)(=O)[O-].[Na+] |
