Molecule ID: mol16947

SMILES: c1cc(NCCCNCc2ccc3c(c2)OCO3)c2ccc(C3CCCCC3)cc2n1

InChI: InChI=1S/C26H31N3O2/c1-2-5-20(6-3-1)21-8-9-22-23(11-14-29-24(22)16-21)28-13-4-12-27-17-19-7-10-25-26(15-19)31-18-30-25/h7-11,14-16,20,27H,1-6,12-13,17-18H2,(H,28,29)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.47 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization