Molecule ID: mol6422
SMILES: Cc1nc(C)c(C(=O)O)cc1C(=O)O
InChI: InChI=1S/C9H9NO4/c1-4-6(8(11)12)3-7(9(13)14)5(2)10-4/h3H,1-2H3,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.72 | IUPAC digitized pKa | 1 » 0 |
| 1.72 | QSARToolbox | 1 » 0 |
| 1.72 | QSARToolbox | 1 » 0 |
| 2.81 | QSARToolbox | 0 » -1 |
| 2.81 | IUPAC digitized pKa | 0 » -1 |
| 6.16 | QSARToolbox | -1 » -2 |
| 6.16 | IUPAC digitized pKa | -1 » -2 |
| 6.20 | OCHEM | -1 » -2 |