Molecule ID: mol17616

SMILES: CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCC(CO)CC4)ccc3c2)CC1

InChI: InChI=1S/C25H34N2O3/c1-18(2)26-13-9-23(10-14-26)30-24-6-5-20-15-22(4-3-21(20)16-24)25(29)27-11-7-19(17-28)8-12-27/h3-6,15-16,18-19,23,28H,7-14,17H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization