Molecule ID: mol10833
SMILES: O=C(O)c1cc(C(=O)O)c(C(=O)O)cc1O
InChI: InChI=1S/C9H6O7/c10-6-2-4(8(13)14)3(7(11)12)1-5(6)9(15)16/h1-2,10H,(H,11,12)(H,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.86 | IUPAC digitized pKa | 0 » -1 |
| 1.86 | OCHEM | 0 » -1 |
| 1.86 | OCHEM | 0 » -1 |
| 1.86 | QSARToolbox | 0 » -1 |
| 1.86 | QSARToolbox | 0 » -1 |
| 3.39 | IUPAC digitized pKa | -1 » -2 |
| 3.39 | QSARToolbox | -2 » -3 |
| 3.40 | OCHEM | -2 » -3 |
| 3.40 | OCHEM | -2 » -3 |
| 5.30 | IUPAC digitized pKa | -2 » -3 |
| 5.30 | OCHEM | -2 » -3 |
| 5.30 | QSARToolbox | -2 » -3 |