Molecule ID: mol3856

SMILES: c1cc[nH]c1

InChI: InChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
16.50 Datawarrior 0 » -1
16.50 OCHEM 0 » -1
16.50 QSARToolbox 0 » -1
16.80 OCHEM 0 » -1
17.51 IUPAC digitized pKa 0 » -1
17.51 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization