Base information
| Cat. No. | |
| CAS No. | 110008-56-5 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H13ClN7NaO5S2 |
| Molecular Weight | 493.88 |
| Exact Mass | 493.001 |
| XLogP3 | -1.081 |
| Mr | 106.352 |
| PSA | 209.77 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 46 |
| Ring number | 4 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | O=C(N[C@@H]1C(=O)N2[C@@H]1SCC(=C2C(=O)[O-])CSc1nnnn1C)Cc1onc(c1)Cl.[Na+] |
