Molecule ID: mol17696

SMILES: Cc1cccc2c(Nc3ccc(NS(=O)(=O)CCCCNC(=N)N)cc3)c3cccc(C)c3nc12

InChI: InChI=1S/C26H30N6O2S/c1-17-7-5-9-21-23(17)31-24-18(2)8-6-10-22(24)25(21)30-19-11-13-20(14-12-19)32-35(33,34)16-4-3-15-29-26(27)28/h5-14,32H,3-4,15-16H2,1-2H3,(H,30,31)(H4,27,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.41 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization