Molecule ID: mol19702

SMILES: Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCN2CCNCC2)nc1

InChI: InChI=1S/C17H27N7O2S/c1-13-17(14(2)23(3)21-13)22-27(25,26)15-4-5-16(20-12-15)19-8-11-24-9-6-18-7-10-24/h4-5,12,18,22H,6-11H2,1-3H3,(H,19,20)

Experimental Macro pKa Values

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