Molecule ID: mol15134
SMILES: C1=C(c2nc3ccccc3s2)C2CCN1CC2
InChI: InChI=1S/C14H14N2S/c1-2-4-13-12(3-1)15-14(17-13)11-9-16-7-5-10(11)6-8-16/h1-4,9-10H,5-8H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.40 | Datawarrior | 1 » 0 |
| 7.40 | QSARToolbox | 1 » 0 |
| 7.40 | OCHEM | 1 » 0 |