Molecule ID: mol11228
SMILES: Cc1cc(C)cc(OCC(=O)O)c1
InChI: InChI=1S/C10H12O3/c1-7-3-8(2)5-9(4-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | IUPAC digitized pKa | 0 » -1 |
| 3.20 | OCHEM | 0 » -1 |
| 3.20 | AttenGpKa training set | 0 » -1 |
| 3.20 | QSARToolbox | 0 » -1 |
| 3.20 | QSARToolbox | 0 » -1 |