Molecule ID: mol6401

SMILES: COc1ccnc(Cl)c1

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

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.93 QSARToolbox 1 » 0
1.93 OCHEM 1 » 0
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Charge States and Microspecies Visualization