Molecule ID: mol14494
SMILES: Nc1cccc(-c2nc3ccccc3s2)c1
InChI: InChI=1S/C13H10N2S/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,14H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.07 | Datawarrior | 2 » 1 |
| 0.07 | QSARToolbox | 2 » 1 |
| 3.40 | Datawarrior | 1 » 0 |
| 3.40 | OCHEM | 1 » 0 |