Molecule ID: mol4993

SMILES: CCN(CC)CCCCCCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12

InChI: InChI=1S/C25H34ClN3O/c1-4-29(5-2)16-10-8-6-7-9-15-27-25-21-13-11-19(26)17-24(21)28-23-14-12-20(30-3)18-22(23)25/h11-14,17-18H,4-10,15-16H2,1-3H3,(H,27,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.21 IUPAC digitized pKa 2 » 1
8.21 QSARToolbox 2 » 1
8.23 QSARToolbox 2 » 1
8.23 IUPAC digitized pKa 2 » 1
10.41 IUPAC digitized pKa 1 » 0
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Charge States and Microspecies Visualization