Molecule ID: mol1955

SMILES: Cc1cc(CN(CC(=O)Nc2ccc(Cl)cc2Cl)C2CCCCC2)ccc1OCC(=O)O

InChI: InChI=1S/C24H28Cl2N2O4/c1-16-11-17(7-10-22(16)32-15-24(30)31)13-28(19-5-3-2-4-6-19)14-23(29)27-21-9-8-18(25)12-20(21)26/h7-12,19H,2-6,13-15H2,1H3,(H,27,29)(H,30,31)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.90 Hunt 1 » 0
6.70 Hunt 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization