Base information
| Cat. No. | |
| CAS No. | 675602-96-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C15H11N3O3S |
| Molecular Weight | 313.331 |
| Exact Mass | 313.052 |
| XLogP3 | 5.1972 |
| Mr | 87.2924 |
| PSA | 122.2 |
| Sequence | - |
| Atom number | 33 |
| Bond number | 35 |
| Ring number | 3 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | Nc1scc(n1)c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-] |
