Molecule ID: mol4386

SMILES: Fc1ccc2nccc(Cl)c2c1

InChI: InChI=1S/C9H5ClFN/c10-8-3-4-12-9-2-1-6(11)5-7(8)9/h1-5H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.95 IUPAC digitized pKa 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