Molecule ID: mol3730
SMILES: Sc1cccnc1
InChI: InChI=1S/C5H5NS/c7-5-2-1-3-6-4-5/h1-4,7H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.26 | QSARToolbox | 1 » 0 |
| 2.26 | IUPAC digitized pKa | 1 » 0 |
| 2.28 | QSARToolbox | 1 » 0 |
| 2.28 | Datawarrior | 1 » 0 |
| 2.28 | OCHEM | 1 » 0 |
| 2.28 | AttenGpKa training set | 1 » 0 |
| 7.01 | Datawarrior | 0 » -1 |
| 7.01 | AttenGpKa training set | 0 » -1 |
| 7.01 | OCHEM | 0 » -1 |
| 7.03 | IUPAC digitized pKa | 0 » -1 |
| 7.03 | OCHEM | 0 » -1 |
| 7.03 | OCHEM | 0 » -1 |
| 7.30 | QSARToolbox | 0 » -1 |