Molecule ID: mol11241
SMILES: COc1cc(C(=O)O)cc(OC)c1OC
InChI: InChI=1S/C10H12O5/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.12 | QSARToolbox | 0 » -1 |
| 4.12 | QSARToolbox | 0 » -1 |
| 4.12 | IUPAC digitized pKa | 0 » -1 |
| 4.14 | IUPAC digitized pKa | 0 » -1 |
| 4.16 | OCHEM | 0 » -1 |
| 4.19 | IUPAC digitized pKa | 0 » -1 |
| 4.19 | QSARToolbox | 0 » -1 |
| 4.23 | AttenGpKa training set | 0 » -1 |
| 4.24 | IUPAC digitized pKa | 0 » -1 |
| 4.30 | IUPAC digitized pKa | 0 » -1 |
| 4.38 | IUPAC digitized pKa | 0 » -1 |
| 4.53 | IUPAC digitized pKa | 0 » -1 |
| 4.65 | IUPAC digitized pKa | 0 » -1 |