Molecule ID: mol6436

SMILES: COc1ncc(Cl)cc1Cl

InChI: InChI=1S/C6H5Cl2NO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-1.40 OCHEM 1 » 0
-1.40 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization