Molecule ID: mol4428

SMILES: COc1ccc2nccc(CC3CCCCN3O)c2c1

InChI: InChI=1S/C16H20N2O2/c1-20-14-5-6-16-15(11-14)12(7-8-17-16)10-13-4-2-3-9-18(13)19/h5-8,11,13,19H,2-4,9-10H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.34 IUPAC digitized pKa 2 » 1
4.36 IUPAC digitized pKa 2 » 1
9.30 IUPAC digitized pKa 0 » -1
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Charge States and Microspecies Visualization