Molecule ID: mol4122

SMILES: CN(C)c1cc(Cl)ncn1

InChI: InChI=1S/C6H8ClN3/c1-10(2)6-3-5(7)8-4-9-6/h3-4H,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization