Molecule ID: mol9967
SMILES: Cc1cc(O)ccc1O
InChI: InChI=1S/C7H8O2/c1-5-4-6(8)2-3-7(5)9/h2-4,8-9H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.05 | IUPAC digitized pKa | 0 » -1 |
| 10.05 | QSARToolbox | 0 » -1 |
| 10.10 | IUPAC digitized pKa | 0 » -1 |
| 10.10 | OCHEM | 0 » -1 |
| 10.10 | QSARToolbox | 0 » -1 |
| 10.11 | Datawarrior | 0 » -1 |
| 10.11 | OCHEM | 0 » -1 |
| 10.15 | QSARToolbox | 0 » -1 |
| 10.15 | IUPAC digitized pKa | 0 » -1 |
| 10.15 | IUPAC digitized pKa | 0 » -1 |
| 10.20 | IUPAC digitized pKa | 0 » -1 |
| 10.25 | IUPAC digitized pKa | 0 » -1 |
| 10.43 | AttenGpKa training set | 0 » -1 |
| 11.60 | OCHEM | -1 » -2 |
| 11.62 | IUPAC digitized pKa | -1 » -2 |
| 11.67 | IUPAC digitized pKa | -1 » -2 |
| 11.72 | IUPAC digitized pKa | -1 » -2 |
| 11.74 | QSARToolbox | -1 » -2 |
| 11.75 | IUPAC digitized pKa | -1 » -2 |
| 11.75 | IUPAC digitized pKa | -1 » -2 |
| 11.78 | Datawarrior | -1 » -2 |
| 11.85 | IUPAC digitized pKa | -1 » -2 |