Molecule ID: mol2519

SMILES: Nc1ncc(Cl)cc1Cl

InChI: InChI=1S/C5H4Cl2N2/c6-3-1-4(7)5(8)9-2-3/h1-2H,(H2,8,9)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.67 AttenGpKa training set 1 » 0
2.75 IUPAC digitized pKa 1 » 0
2.75 OCHEM 1 » 0
2.75 Hunt 1 » 0
2.75 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization