Molecule ID: mol7194

SMILES: CCCCc1nc(O)cc(Cl)n1

InChI: InChI=1S/C8H11ClN2O/c1-2-3-4-7-10-6(9)5-8(12)11-7/h5H,2-4H2,1H3,(H,10,11,12)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.30 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization