Molecule ID: mol19951

SMILES: CN[C@@H]1CCN(c2cc(N)nc(NC(C)C)c2)C1

InChI: InChI=1S/C13H23N5/c1-9(2)16-13-7-11(6-12(14)17-13)18-5-4-10(8-18)15-3/h6-7,9-10,15H,4-5,8H2,1-3H3,(H3,14,16,17)/t10-/m1/s1

Experimental Macro pKa Values

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