Molecule ID: mol12303
SMILES: CC1=CC(=C(c2cc(C)c(O)c(C(=O)O)c2)c2c(Cl)ccc(Cl)c2Cl)C=C(C(=O)O)C1=O
InChI: InChI=1S/C23H15Cl3O6/c1-9-5-11(7-13(20(9)27)22(29)30)17(18-15(24)3-4-16(25)19(18)26)12-6-10(2)21(28)14(8-12)23(31)32/h3-8,27H,1-2H3,(H,29,30)(H,31,32)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | IUPAC digitized pKa | 0 » -1 |
| 5.00 | IUPAC digitized pKa | -1 » -2 |
| 12.40 | IUPAC digitized pKa | -2 » -3 |