Molecule ID: mol34787

SMILES: CC(C(=O)O)N(CC(=O)O)c1cc(F)ccc1OCCOc1ccc(F)cc1N(CC(=O)O)C(C)C(=O)O

InChI: InChI=1S/C24H26F2N2O10/c1-13(23(33)34)27(11-21(29)30)17-9-15(25)3-5-19(17)37-7-8-38-20-6-4-16(26)10-18(20)28(12-22(31)32)14(2)24(35)36/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.02 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization