Molecule ID: mol4437
SMILES: Sc1ccc2ncccc2c1
InChI: InChI=1S/C9H7NS/c11-8-3-4-9-7(6-8)2-1-5-10-9/h1-6,11H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.91 | IUPAC digitized pKa | 1 » 0 |
| 3.91 | QSARToolbox | 1 » 0 |
| 3.95 | Datawarrior | 1 » 0 |
| 3.95 | OCHEM | 1 » 0 |
| 3.95 | AttenGpKa training set | 1 » 0 |
| 3.95 | QSARToolbox | 1 » 0 |
| 6.50 | IUPAC digitized pKa | 0 » -1 |
| 6.50 | Datawarrior | 0 » -1 |
| 6.50 | OCHEM | 0 » -1 |
| 6.50 | OCHEM | 0 » -1 |
| 6.50 | OCHEM | 0 » -1 |
| 6.50 | QSARToolbox | 0 » -1 |
| 6.50 | QSARToolbox | 0 » -1 |
| 6.50 | AttenGpKa training set | 0 » -1 |