Molecule ID: mol36366

SMILES: O=C1OC(c2c(C(=O)O)[nH]c3c(Cl)cccc23)(c2c(C(=O)O)[nH]c3c(Cl)cccc23)c2ccccc21

InChI: InChI=1S/C26H14Cl2N2O6/c27-15-9-3-6-12-17(21(23(31)32)29-19(12)15)26(14-8-2-1-5-11(14)25(35)36-26)18-13-7-4-10-16(28)20(13)30-22(18)24(33)34/h1-10,29-30H,(H,31,32)(H,33,34)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
11.80 QSARToolbox -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization