Molecule ID: mol15724
SMILES: O=C1CN(C(=O)c2ccccc2)C(=S)N1
InChI: InChI=1S/C10H8N2O2S/c13-8-6-12(10(15)11-8)9(14)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -6.60 | Datawarrior | 2 » 1 |
| -6.60 | OCHEM | 2 » 1 |
| 6.50 | Datawarrior | 0 » -1 |
| 6.50 | OCHEM | 0 » -1 |
| 6.50 | QSARToolbox | 0 » -1 |