Molecule ID: mol17618

SMILES: CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCOCC4)ccc3c2)CC1

InChI: InChI=1S/C23H30N2O3/c1-17(2)24-9-7-21(8-10-24)28-22-6-5-18-15-20(4-3-19(18)16-22)23(26)25-11-13-27-14-12-25/h3-6,15-17,21H,7-14H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization