Molecule ID: mol19700

SMILES: Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCCn2ccnc2)nc1

InChI: InChI=1S/C17H23N7O2S/c1-13-17(14(2)23(3)21-13)22-27(25,26)15-5-6-16(20-11-15)19-7-4-9-24-10-8-18-12-24/h5-6,8,10-12,22H,4,7,9H2,1-3H3,(H,19,20)

Experimental Macro pKa Values

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