Molecule ID: mol737
SMILES: O=C(O)COc1ccccc1
InChI: InChI=1S/C8H8O3/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.91 | QSARToolbox | 0 » -1 |
| 2.93 | IUPAC digitized pKa | 0 » -1 |
| 2.96 | IUPAC digitized pKa | 0 » -1 |
| 3.11 | QSARToolbox | 0 » -1 |
| 3.11 | QSARToolbox | 0 » -1 |
| 3.11 | IUPAC digitized pKa | 0 » -1 |
| 3.12 | QSARToolbox | 0 » -1 |
| 3.12 | QSARToolbox | 0 » -1 |
| 3.12 | QSARToolbox | 0 » -1 |
| 3.12 | QSARToolbox | 0 » -1 |
| 3.12 | QSARToolbox | 0 » -1 |
| 3.12 | QSARToolbox | 0 » -1 |
| 3.12 | QSARToolbox | 0 » -1 |
| 3.12 | IUPAC digitized pKa | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |
| 3.15 | Datawarrior | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |
| 3.16 | IUPAC digitized pKa | 0 » -1 |
| 3.16 | AttenGpKa training set | 0 » -1 |
| 3.17 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.17 | Hunt | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.17 | QSARToolbox | 0 » -1 |
| 3.17 | QSARToolbox | 0 » -1 |
| 3.17 | QSARToolbox | 0 » -1 |
| 3.17 | QSARToolbox | 0 » -1 |
| 3.17 | QSARToolbox | 0 » -1 |
| 3.18 | IUPAC digitized pKa | 0 » -1 |
| 3.20 | Baltruschat ChEMBL | 0 » -1 |
| 3.35 | QSARToolbox | 0 » -1 |
| 3.35 | QSARToolbox | 0 » -1 |