Molecule ID: mol16958

SMILES: CCS(=O)(=O)n1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCOC1)CC2

InChI: InChI=1S/C24H33N3O4S/c1-3-32(29,30)27-22-5-4-18(24(28)25-10-6-17(2)7-11-25)14-20(22)21-15-26(12-8-23(21)27)19-9-13-31-16-19/h4-5,14,17,19H,3,6-13,15-16H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.90 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization