Molecule ID: mol3648
SMILES: Cn1cc(C(=O)O)ccc1=O
InChI: InChI=1S/C7H7NO3/c1-8-4-5(7(10)11)2-3-6(8)9/h2-4H,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.70 | QSARToolbox | 1 » 0 |
| 3.84 | IUPAC digitized pKa | 0 » -1 |
| 3.86 | QSARToolbox | 0 » -1 |
| 3.86 | IUPAC digitized pKa | 0 » -1 |