Molecule ID: mol7570
SMILES: Cc1cscn1
InChI: InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h2-3H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.07 | IUPAC digitized pKa | 1 » 0 |
| 3.13 | AttenGpKa training set | 1 » 0 |
| 3.14 | Datawarrior | 1 » 0 |
| 3.14 | OCHEM | 1 » 0 |
| 3.14 | QSARToolbox | 1 » 0 |
| 3.15 | IUPAC digitized pKa | 1 » 0 |
| 3.15 | IUPAC digitized pKa | 1 » 0 |
| 3.16 | IUPAC digitized pKa | 1 » 0 |
| 3.16 | OCHEM | 1 » 0 |
| 3.16 | OCHEM | 1 » 0 |