Molecule ID: mol2580
SMILES: Sc1ccccc1
InChI: InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.90 | QSARToolbox | 0 » -1 |
| 5.90 | QSARToolbox | 0 » -1 |
| 5.98 | QSARToolbox | 0 » -1 |
| 6.20 | QSARToolbox | 0 » -1 |
| 6.30 | QSARToolbox | 0 » -1 |
| 6.37 | OCHEM | 0 » -1 |
| 6.37 | Datawarrior | 0 » -1 |
| 6.43 | IUPAC digitized pKa | 0 » -1 |
| 6.50 | OCHEM | 0 » -1 |
| 6.50 | OCHEM | 0 » -1 |
| 6.50 | QSARToolbox | 0 » -1 |
| 6.51 | QSARToolbox | 0 » -1 |
| 6.53 | AttenGpKa training set | 0 » -1 |
| 6.60 | OCHEM | 0 » -1 |
| 6.60 | Baltruschat ChEMBL | 0 » -1 |
| 6.62 | IUPAC digitized pKa | 0 » -1 |
| 6.62 | QSARToolbox | 0 » -1 |
| 6.62 | IUPAC digitized pKa | 0 » -1 |
| 6.62 | OCHEM | 0 » -1 |
| 6.62 | Hunt | 0 » -1 |
| 6.62 | OCHEM | 0 » -1 |
| 8.20 | QSARToolbox | 0 » -1 |