Molecule ID: mol10642
SMILES: CCc1ccc(C(=O)O)nc1
InChI: InChI=1S/C8H9NO2/c1-2-6-3-4-7(8(10)11)9-5-6/h3-5H,2H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.86 | Datawarrior | 0 » -1 |
| 5.86 | OCHEM | 0 » -1 |
| 5.86 | QSARToolbox | 0 » -1 |
| 5.94 | IUPAC digitized pKa | 0 » -1 |