Molecule ID: mol15502
SMILES: COP(=O)(Nc1nccs1)c1ccc([N+](=O)[O-])cc1
InChI: InChI=1S/C10H10N3O4PS/c1-17-18(16,12-10-11-6-7-19-10)9-4-2-8(3-5-9)13(14)15/h2-7H,1H3,(H,11,12,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.60 | Datawarrior | 0 » -1 |
| 8.60 | OCHEM | 0 » -1 |