Molecule ID: mol7030

SMILES: CCN(CC)c1c(N)ncnc1O

InChI: InChI=1S/C8H14N4O/c1-3-12(4-2)6-7(9)10-5-11-8(6)13/h5H,3-4H2,1-2H3,(H3,9,10,11,13)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.05 IUPAC digitized pKa 1 » 0
10.38 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization