Molecule ID: mol1410
SMILES: Oc1cccc2scnc12
InChI: InChI=1S/C7H5NOS/c9-5-2-1-3-6-7(5)8-4-10-6/h1-4,9H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.20 | IUPAC digitized pKa | 1 » 0 |
| 1.20 | QSARToolbox | 1 » 0 |
| 1.25 | Datawarrior | 1 » 0 |
| 1.25 | OCHEM | 1 » 0 |
| 1.30 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | IUPAC digitized pKa | 0 » -1 |
| 8.77 | Datawarrior | 0 » -1 |
| 8.77 | OCHEM | 0 » -1 |
| 8.85 | IUPAC digitized pKa | 0 » -1 |
| 8.85 | Hunt | 0 » -1 |
| 8.85 | QSARToolbox | 0 » -1 |