Base information
| Cat. No. | |
| CAS No. | 55981-09-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H9N3O5S |
| Molecular Weight | 307.282 |
| Exact Mass | 307.026 |
| XLogP3 | 2.8251 |
| Mr | 76.6492 |
| PSA | 142.35 |
| Sequence | - |
| Atom number | 30 |
| Bond number | 31 |
| Ring number | 2 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CC(=O)Oc1ccccc1C(=O)Nc1ncc(s1)[N+](=O)[O-] |