Molecule ID: mol12577
SMILES: CN(C)c1ccc(NC=S)cc1
InChI: InChI=1S/C9H12N2S/c1-11(2)9-5-3-8(4-6-9)10-7-12/h3-7H,1-2H3,(H,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.96 | Datawarrior | 0 » -1 |
| 11.96 | OCHEM | 0 » -1 |
| 11.96 | QSARToolbox | 0 » -1 |