Molecule ID: mol10130
SMILES: S=c1[nH]c2ccccc2[nH]1
InChI: InChI=1S/C7H6N2S/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.18 | IUPAC digitized pKa | 0 » -1 |
| 10.24 | QSARToolbox | 0 » -1 |
| 10.24 | IUPAC digitized pKa | 0 » -1 |
| 10.24 | Datawarrior | 0 » -1 |
| 10.24 | OCHEM | 0 » -1 |
| 10.33 | IUPAC digitized pKa | 0 » -1 |
| 10.98 | IUPAC digitized pKa | 0 » -1 |