Molecule ID: mol18408

SMILES: Cc1cc(-c2cnc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)c3n2)ccc1C(=O)N1CCN(C)CC1

InChI: InChI=1S/C32H35N5O3S/c1-23-20-26(10-11-27(23)32(38)37-14-12-35(2)13-15-37)30-21-33-29-5-3-4-28(31(29)34-30)25-8-6-24(7-9-25)22-36-16-18-41(39,40)19-17-36/h3-11,20-21H,12-19,22H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.90 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization