Molecule ID: mol17608

SMILES: CC(C)CN1CCC(Oc2ccc3cc(C(=O)N4CCC(C)CC4)ccc3c2)CC1

InChI: InChI=1S/C26H36N2O2/c1-19(2)18-27-12-10-24(11-13-27)30-25-7-6-21-16-23(5-4-22(21)17-25)26(29)28-14-8-20(3)9-15-28/h4-7,16-17,19-20,24H,8-15,18H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization