Molecule ID: mol4387

SMILES: Fc1ccc2c(Cl)ccnc2c1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization