Molecule ID: mol16932

SMILES: c1cc(NCCCNCc2ccc3c(c2)OCO3)c2ccc(CC3CCCCC3)cc2n1

InChI: InChI=1S/C27H33N3O2/c1-2-5-20(6-3-1)15-21-7-9-23-24(11-14-30-25(23)16-21)29-13-4-12-28-18-22-8-10-26-27(17-22)32-19-31-26/h7-11,14,16-17,20,28H,1-6,12-13,15,18-19H2,(H,29,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.47 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization