Molecule ID: mol16675

SMILES: CC(C)N1CCC(Oc2ccc(C3(C(N)=O)CCOCC3)cc2)CC1

InChI: InChI=1S/C20H30N2O3/c1-15(2)22-11-7-18(8-12-22)25-17-5-3-16(4-6-17)20(19(21)23)9-13-24-14-10-20/h3-6,15,18H,7-14H2,1-2H3,(H2,21,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization