Molecule ID: mol14496
SMILES: Nc1ccc(-c2nc3ccccc3s2)cc1
InChI: InChI=1S/C13H10N2S/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.10 | Datawarrior | 2 » 1 |
| 0.10 | QSARToolbox | 2 » 1 |
| 3.00 | Datawarrior | 1 » 0 |
| 3.00 | OCHEM | 1 » 0 |