Molecule ID: mol4666

SMILES: Nc1ccc2nccnc2c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization