Molecule ID: mol19337

SMILES: CC1CCN(C(=O)[C@H](CCCNc2cnccn2)NS(=O)(=O)c2ccc3ccccc3c2)CC1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization