Molecule ID: mol17694

SMILES: N=C(N)NCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(Cl)ccc23)cc1

InChI: InChI=1S/C24H25ClN6O2S/c25-16-7-12-20-22(15-16)30-21-6-2-1-5-19(21)23(20)29-17-8-10-18(11-9-17)31-34(32,33)14-4-3-13-28-24(26)27/h1-2,5-12,15,31H,3-4,13-14H2,(H,29,30)(H4,26,27,28)

Experimental Macro pKa Values

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