Molecule ID: mol6402

SMILES: COc1cccc(Cl)n1

InChI: InChI=1S/C6H6ClNO/c1-9-6-4-2-3-5(7)8-6/h2-4H,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.13 OCHEM 1 » 0
-0.13 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization