Molecule ID: mol19338

SMILES: CC1CCN(C(=O)[C@H](CCCNc2cccnn2)NS(=O)(=O)c2ccc3ccccc3c2)CC1

InChI: InChI=1S/C25H31N5O3S/c1-19-12-16-30(17-13-19)25(31)23(8-4-14-26-24-9-5-15-27-28-24)29-34(32,33)22-11-10-20-6-2-3-7-21(20)18-22/h2-3,5-7,9-11,15,18-19,23,29H,4,8,12-14,16-17H2,1H3,(H,26,28)/t23-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.20 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization