Molecule ID: mol10654

SMILES: CCCc1cc(=O)n2[nH]cnc2n1

InChI: InChI=1S/C8H10N4O/c1-2-3-6-4-7(13)12-8(11-6)9-5-10-12/h4-5H,2-3H2,1H3,(H,9,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.31 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization