Molecule ID: mol19618

SMILES: Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)O)CCN(C(C)C)C2=O

InChI: InChI=1S/C26H28N2O5S/c1-17(2)27-14-13-22-25(26(27)31)21(18(3)28(22)16-24(29)30)15-19-9-7-8-12-23(19)34(32,33)20-10-5-4-6-11-20/h4-12,17H,13-16H2,1-3H3,(H,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization