Molecule ID: mol6593

SMILES: COc1c(Cl)cnc(Cl)c1Cl

InChI: InChI=1S/C6H4Cl3NO/c1-11-5-3(7)2-10-6(9)4(5)8/h2H,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-2.60 QSARToolbox 1 » 0
-2.06 OCHEM 1 » 0
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Charge States and Microspecies Visualization