Molecule ID: mol4233
SMILES: c1cscn1
InChI: InChI=1S/C3H3NS/c1-2-5-3-4-1/h1-3H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | QSARToolbox | 1 » 0 |
| 2.44 | IUPAC digitized pKa | 1 » 0 |
| 2.50 | IUPAC digitized pKa | 1 » 0 |
| 2.50 | Baltruschat ChEMBL | 1 » 0 |
| 2.52 | IUPAC digitized pKa | 1 » 0 |
| 2.52 | IUPAC digitized pKa | 1 » 0 |
| 2.52 | Baltruschat ChEMBL | 1 » 0 |
| 2.53 | QSARToolbox | 1 » 0 |
| 2.53 | AttenGpKa training set | 1 » 0 |
| 2.55 | IUPAC digitized pKa | 1 » 0 |
| 2.60 | OCHEM | 1 » 0 |
| 2.60 | Datawarrior | 1 » 0 |
| 2.68 | QSARToolbox | 1 » 0 |