Base information
| Cat. No. | |
| CAS No. | 808139-95-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C12H7N3O3S |
| Molecular Weight | 273.267 |
| Exact Mass | 273.021 |
| XLogP3 | 3.3067 |
| Mr | 72.7145 |
| PSA | 108.43 |
| Sequence | - |
| Atom number | 26 |
| Bond number | 28 |
| Ring number | 3 |
| Rotor number | 3 |
| Residues number | 0 |
| Canonical smiles | O=Cc1c(nc2n1ccs2)c1cccc(c1)[N+](=O)[O-] |
