Molecule ID: mol4416

SMILES: Fc1cnc2ccccc2c1

InChI: InChI=1S/C9H6FN/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-6H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.36 Baltruschat ChEMBL 1 » 0
2.46 AttenGpKa training set 1 » 0
2.64 IUPAC digitized pKa 1 » 0
2.64 QSARToolbox 1 » 0
2.70 OCHEM 1 » 0
2.75 IUPAC digitized pKa 1 » 0
2.75 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization