Molecule ID: mol14980
SMILES: CCOP(=O)(Nc1nccs1)c1ccc(N)cc1
InChI: InChI=1S/C11H14N3O2PS/c1-2-16-17(15,14-11-13-7-8-18-11)10-5-3-9(12)4-6-10/h3-8H,2,12H2,1H3,(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.30 | Datawarrior | 0 » -1 |
| 9.30 | OCHEM | 0 » -1 |