Molecule ID: mol26437

SMILES: Cn1cnc2cc(Cl)ccc21

InChI: InChI=1S/C8H7ClN2/c1-11-5-10-7-4-6(9)2-3-8(7)11/h2-5H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization