Molecule ID: mol4434
SMILES: Sc1cnc2ccccc2c1
InChI: InChI=1S/C9H7NS/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-6,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.29 | QSARToolbox | 1 » 0 |
| 2.29 | IUPAC digitized pKa | 1 » 0 |
| 2.33 | OCHEM | 1 » 0 |
| 2.33 | QSARToolbox | 1 » 0 |
| 2.33 | Datawarrior | 1 » 0 |
| 2.33 | AttenGpKa training set | 1 » 0 |
| 6.13 | Datawarrior | 0 » -1 |
| 6.13 | AttenGpKa training set | 0 » -1 |
| 6.13 | OCHEM | 0 » -1 |
| 6.17 | IUPAC digitized pKa | 0 » -1 |
| 6.17 | OCHEM | 0 » -1 |
| 6.17 | OCHEM | 0 » -1 |
| 6.17 | QSARToolbox | 0 » -1 |