Molecule ID: mol11227
SMILES: Cc1ccc(OCC(=O)O)c(C)c1
InChI: InChI=1S/C10H12O3/c1-7-3-4-9(8(2)5-7)13-6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.08 | IUPAC digitized pKa | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |
| 3.22 | IUPAC digitized pKa | 0 » -1 |
| 3.22 | QSARToolbox | 0 » -1 |
| 3.80 | QSARToolbox | 0 » -1 |