Molecule ID: mol10834
SMILES: O=C(O)c1cc(C(=O)O)c(O)c(C(=O)O)c1
InChI: InChI=1S/C9H6O7/c10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-2,10H,(H,11,12)(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.77 | QSARToolbox | 0 » -1 |
| 2.77 | QSARToolbox | 0 » -1 |
| 2.77 | IUPAC digitized pKa | -1 » -2 |
| 3.07 | OCHEM | -2 » -3 |
| 3.07 | OCHEM | -2 » -3 |
| 3.93 | IUPAC digitized pKa | 0 » -1 |
| 3.93 | OCHEM | -2 » -3 |
| 3.93 | QSARToolbox | -2 » -3 |
| 4.88 | IUPAC digitized pKa | -2 » -3 |
| 4.88 | OCHEM | -2 » -3 |
| 4.88 | QSARToolbox | -2 » -3 |