Molecule ID: mol26477

SMILES: c1ccc(-[n+]2cn3c(n2)CCC3)nc1

InChI: InChI=1S/C10H11N4/c1-2-6-11-9(4-1)14-8-13-7-3-5-10(13)12-14/h1-2,4,6,8H,3,5,7H2/q+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
0.05 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization