Molecule ID: mol15213
SMILES: COP(=O)(Nc1nccs1)c1ccc(N)cc1
InChI: InChI=1S/C10H12N3O2PS/c1-15-16(14,13-10-12-6-7-17-10)9-4-2-8(11)3-5-9/h2-7H,11H2,1H3,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | OCHEM | 0 » -1 |
| 9.20 | Datawarrior | 0 » -1 |