Molecule ID: mol14767
SMILES: CCOP(=O)(Nc1nccs1)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C11H12N3O4PS/c1-2-18-19(17,13-11-12-7-8-20-11)10-5-3-9(4-6-10)14(15)16/h3-8H,2H2,1H3,(H,12,13,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.70 | OCHEM | 0 » -1 |
| 8.70 | Datawarrior | 0 » -1 |