Molecule ID: mol15454
SMILES: Cc1cc(C(CC(=O)O)c2ccccc2)ccc1O
InChI: InChI=1S/C16H16O3/c1-11-9-13(7-8-15(11)17)14(10-16(18)19)12-5-3-2-4-6-12/h2-9,14,17H,10H2,1H3,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.67 | Datawarrior | 0 » -1 |
| 4.67 | QSARToolbox | 0 » -1 |
| 4.67 | QSARToolbox | 0 » -1 |
| 4.67 | OCHEM | 0 » -1 |