Molecule ID: mol4701

SMILES: CC(=O)Nc1ncc2nccnc2n1

InChI: InChI=1S/C8H7N5O/c1-5(14)12-8-11-4-6-7(13-8)10-3-2-9-6/h2-4H,1H3,(H,10,11,12,13,14)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.63 IUPAC digitized pKa 1 » 0
2.67 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization