Molecule ID: mol19009

SMILES: CN(C)CCNC(=O)c1ccc(NNc2ccnc3cccc([N+](=O)[O-])c23)cc1

InChI: InChI=1S/C20H22N6O3/c1-25(2)13-12-22-20(27)14-6-8-15(9-7-14)23-24-17-10-11-21-16-4-3-5-18(19(16)17)26(28)29/h3-11,23H,12-13H2,1-2H3,(H,21,24)(H,22,27)

Experimental Macro pKa Values

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