Molecule ID: mol19952

SMILES: CN[C@@H]1CCN(c2ccnc(NC(C)C)n2)C1

InChI: InChI=1S/C12H21N5/c1-9(2)15-12-14-6-4-11(16-12)17-7-5-10(8-17)13-3/h4,6,9-10,13H,5,7-8H2,1-3H3,(H,14,15,16)/t10-/m1/s1

Experimental Macro pKa Values

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