Molecule ID: mol3653

SMILES: O=[N+]([O-])c1cccnc1Cl

InChI: InChI=1S/C5H3ClN2O2/c6-5-4(8(9)10)2-1-3-7-5/h1-3H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-2.60 IUPAC digitized pKa 1 » 0
-2.60 OCHEM 1 » 0
-2.60 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization