Molecule ID: mol19955

SMILES: CN[C@@H]1CCN(c2cc(N)nc(C(C)C)n2)C1

InChI: InChI=1S/C12H21N5/c1-8(2)12-15-10(13)6-11(16-12)17-5-4-9(7-17)14-3/h6,8-9,14H,4-5,7H2,1-3H3,(H2,13,15,16)/t9-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.30 OCHEM 2 » 1
6.30 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization