Molecule ID: mol1771
SMILES: COc1cc(O)cc(OC)c1
InChI: InChI=1S/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.99 | IUPAC digitized pKa | 0 » -1 |
| 9.04 | IUPAC digitized pKa | 0 » -1 |
| 9.09 | IUPAC digitized pKa | 0 » -1 |
| 9.14 | IUPAC digitized pKa | 0 » -1 |
| 9.19 | IUPAC digitized pKa | 0 » -1 |
| 9.24 | IUPAC digitized pKa | 0 » -1 |
| 9.29 | IUPAC digitized pKa | 0 » -1 |
| 9.34 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.34 | OCHEM | 0 » -1 |
| 9.34 | OCHEM | 0 » -1 |
| 9.34 | OCHEM | 0 » -1 |
| 9.34 | OCHEM | 0 » -1 |
| 9.34 | OCHEM | 0 » -1 |
| 9.34 | QSARToolbox | 0 » -1 |
| 9.34 | QSARToolbox | 0 » -1 |
| 9.35 | IUPAC digitized pKa | 0 » -1 |
| 9.35 | OCHEM | 0 » -1 |
| 9.35 | Hunt | 0 » -1 |
| 9.35 | OCHEM | 0 » -1 |
| 9.35 | OCHEM | 0 » -1 |
| 9.35 | OCHEM | 0 » -1 |
| 9.35 | AttenGpKa training set | 0 » -1 |
| 9.40 | IUPAC digitized pKa | 0 » -1 |
| 9.46 | IUPAC digitized pKa | 0 » -1 |
| 9.52 | IUPAC digitized pKa | 0 » -1 |