Molecule ID: mol29562

SMILES: CCN(CC)c1ncnc2nc[nH]c12

InChI: InChI=1S/C9H13N5/c1-3-14(4-2)9-7-8(11-5-10-7)12-6-13-9/h5-6H,3-4H2,1-2H3,(H,10,11,12,13)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.55 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization