Molecule ID: mol19336

SMILES: CC1CCN(C(=O)[C@H](CCCNc2ncccn2)NS(=O)(=O)c2ccc3ccccc3c2)CC1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization