Molecule ID: mol4556

SMILES: Nc1cccc2nnccc12

InChI: InChI=1S/C8H7N3/c9-7-2-1-3-8-6(7)4-5-10-11-8/h1-5H,9H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.69 IUPAC digitized pKa 1 » 0
2.70 Datawarrior 1 » 0
2.70 OCHEM 1 » 0
2.70 AttenGpKa training set 1 » 0
2.70 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization