Molecule ID: mol1768
SMILES: Cc1c(O)cccc1O
InChI: InChI=1S/C7H8O2/c1-5-6(8)3-2-4-7(5)9/h2-4,8-9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.61 | IUPAC digitized pKa | 0 » -1 |
| 9.61 | AttenGpKa training set | 0 » -1 |
| 10.05 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.05 | OCHEM | 0 » -1 |
| 10.05 | Hunt | 0 » -1 |
| 11.98 | IUPAC digitized pKa | -1 » -2 |
| 11.98 | AttenGpKa training set | -1 » -2 |