Molecule ID: mol19953

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

InChI: InChI=1S/C12H22N6/c1-8(2)15-12-16-10(13)6-11(17-12)18-5-4-9(7-18)14-3/h6,8-9,14H,4-5,7H2,1-3H3,(H3,13,15,16,17)/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