Molecule ID: mol16957

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

InChI: InChI=1S/C25H35N3O4S/c1-3-14-33(30,31)28-23-5-4-19(25(29)26-10-6-18(2)7-11-26)15-21(23)22-16-27(12-8-24(22)28)20-9-13-32-17-20/h4-5,15,18,20H,3,6-14,16-17H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization