Molecule ID: mol6404

SMILES: CNc1ccc(Cl)cn1

InChI: InChI=1S/C6H7ClN2/c1-8-6-3-2-5(7)4-9-6/h2-4H,1H3,(H,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.11 IUPAC digitized pKa 1 » 0
5.16 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization