Molecule ID: mol11548
SMILES: S=c1[nH]c2cc3ccccc3cc2[nH]1
InChI: InChI=1S/C11H8N2S/c14-11-12-9-5-7-3-1-2-4-8(7)6-10(9)13-11/h1-6H,(H2,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.72 | AttenGpKa training set | 0 » -1 |
| 9.84 | IUPAC digitized pKa | 0 » -1 |
| 9.84 | Datawarrior | 0 » -1 |
| 9.84 | QSARToolbox | 0 » -1 |
| 9.84 | OCHEM | 0 » -1 |