Molecule ID: mol2106

SMILES: N#Cc1cc(N)c2ccccc2c1

InChI: InChI=1S/C11H8N2/c12-7-8-5-9-3-1-2-4-10(9)11(13)6-8/h1-6H,13H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.26 QSARToolbox 1 » 0
2.26 IUPAC digitized pKa 1 » 0
2.26 Hunt 1 » 0
2.26 OCHEM 1 » 0
2.26 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization