Molecule ID: mol17
SMILES: O=C(O)c1ccccc1O
InChI: InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.45 | IUPAC digitized pKa | 0 » -1 |
| 2.70 | IUPAC digitized pKa | 0 » -1 |
| 2.78 | OCHEM | 0 » -1 |
| 2.78 | OCHEM | 0 » -1 |
| 2.78 | OCHEM | 0 » -1 |
| 2.78 | Hunt | 0 » -1 |
| 2.78 | OCHEM | 0 » -1 |
| 2.81 | IUPAC digitized pKa | 0 » -1 |
| 2.82 | IUPAC digitized pKa | 0 » -1 |
| 2.82 | IUPAC digitized pKa | 0 » -1 |
| 2.88 | OCHEM | 0 » -1 |
| 2.88 | Baltruschat ChEMBL | 0 » -1 |
| 2.88 | Baltruschat ChEMBL | 0 » -1 |
| 2.88 | Settimo | 0 » -1 |
| 2.90 | QSARToolbox | 0 » -1 |
| 2.90 | QSARToolbox | 0 » -1 |
| 2.91 | IUPAC digitized pKa | 0 » -1 |
| 2.93 | IUPAC digitized pKa | 0 » -1 |
| 2.93 | QSARToolbox | 0 » -1 |
| 2.96 | IUPAC digitized pKa | 0 » -1 |
| 2.96 | Baltruschat ChEMBL | 0 » -1 |
| 2.97 | IUPAC digitized pKa | 0 » -1 |
| 2.97 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 2.97 | OCHEM | 0 » -1 |
| 2.97 | OCHEM | 0 » -1 |
| 2.97 | OCHEM | 0 » -1 |
| 2.97 | OCHEM | 0 » -1 |
| 2.97 | OCHEM | 0 » -1 |
| 2.97 | Baltruschat ChEMBL | 0 » -1 |
| 2.97 | QSARToolbox | 0 » -1 |
| 2.97 | QSARToolbox | 0 » -1 |
| 2.97 | QSARToolbox | 0 » -1 |
| 2.97 | QSARToolbox | 0 » -1 |
| 2.97 | QSARToolbox | 0 » -1 |
| 2.98 | IUPAC digitized pKa | 0 » -1 |
| 2.98 | IUPAC digitized pKa | 0 » -1 |
| 2.98 | IUPAC digitized pKa | 0 » -1 |
| 2.98 | OCHEM | 0 » -1 |
| 2.98 | OCHEM | 0 » -1 |
| 2.98 | OCHEM | 0 » -1 |
| 2.98 | QSARToolbox | 0 » -1 |
| 2.98 | QSARToolbox | 0 » -1 |
| 2.98 | QSARToolbox | 0 » -1 |
| 2.99 | IUPAC digitized pKa | 0 » -1 |
| 2.99 | Datawarrior | 0 » -1 |
| 2.99 | OCHEM | 0 » -1 |
| 2.99 | QSARToolbox | 0 » -1 |
| 2.99 | QSARToolbox | 0 » -1 |
| 2.99 | IUPAC digitized pKa | 0 » -1 |
| 3.00 | IUPAC digitized pKa | 0 » -1 |
| 3.00 | OCHEM | 0 » -1 |
| 3.00 | Baltruschat ChEMBL | 0 » -1 |
| 3.00 | Baltruschat ChEMBL | 0 » -1 |
| 3.00 | QSARToolbox | 0 » -1 |
| 3.00 | QSARToolbox | 0 » -1 |
| 3.00 | QSARToolbox | 0 » -1 |
| 3.00 | QSARToolbox | 0 » -1 |
| 3.00 | QSARToolbox | 0 » -1 |
| 3.00 | QSARToolbox | 0 » -1 |
| 3.00 | QSARToolbox | 0 » -1 |
| 3.01 | OCHEM | 0 » -1 |
| 3.01 | IUPAC digitized pKa | 0 » -1 |
| 3.01 | Baltruschat ChEMBL | 0 » -1 |
| 3.02 | IUPAC digitized pKa | 0 » -1 |
| 3.02 | OCHEM | 0 » -1 |
| 3.03 | QSARToolbox | 0 » -1 |
| 3.03 | QSARToolbox | 0 » -1 |
| 3.05 | IUPAC digitized pKa | 0 » -1 |
| 3.07 | QSARToolbox | 0 » -1 |
| 3.07 | QSARToolbox | 0 » -1 |
| 3.08 | QSARToolbox | 0 » -1 |
| 3.08 | QSARToolbox | 0 » -1 |
| 3.08 | IUPAC digitized pKa | 0 » -1 |
| 3.09 | IUPAC digitized pKa | 0 » -1 |
| 3.13 | QSARToolbox | 0 » -1 |
| 3.13 | QSARToolbox | 0 » -1 |
| 3.15 | IUPAC digitized pKa | 0 » -1 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.57 | IUPAC digitized pKa | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.80 | Baltruschat ChEMBL | 0 » -1 |
| 4.14 | Baltruschat ChEMBL | 0 » -1 |
| 4.30 | OCHEM | 0 » -1 |
| 4.30 | Baltruschat ChEMBL | 0 » -1 |
| 4.32 | Baltruschat ChEMBL | 0 » -1 |
| 4.83 | OCHEM | 0 » -1 |
| 4.83 | Baltruschat ChEMBL | 0 » -1 |
| 12.48 | IUPAC digitized pKa | -1 » -2 |
| 12.95 | IUPAC digitized pKa | -1 » -2 |
| 13.01 | QSARToolbox | -1 » -2 |
| 13.01 | QSARToolbox | -1 » -2 |
| 13.12 | QSARToolbox | -1 » -2 |
| 13.12 | QSARToolbox | -1 » -2 |
| 13.20 | IUPAC digitized pKa | -1 » -2 |
| 13.40 | QSARToolbox | -1 » -2 |
| 13.40 | QSARToolbox | -1 » -2 |
| 13.40 | QSARToolbox | -1 » -2 |
| 13.40 | QSARToolbox | -1 » -2 |
| 13.40 | IUPAC digitized pKa | -1 » -2 |
| 13.42 | Datawarrior | -1 » -2 |
| 13.44 | QSARToolbox | -1 » -2 |
| 13.44 | QSARToolbox | -1 » -2 |
| 13.50 | OCHEM | -1 » -2 |
| 13.55 | IUPAC digitized pKa | -1 » -2 |
| 13.60 | IUPAC digitized pKa | -1 » -2 |
| 13.60 | QSARToolbox | -1 » -2 |
| 13.61 | IUPAC digitized pKa | -1 » -2 |
| 13.65 | QSARToolbox | -1 » -2 |
| 13.65 | IUPAC digitized pKa | -1 » -2 |
| 13.90 | IUPAC digitized pKa | -1 » -2 |