Molecule ID: mol18201

SMILES: Nc1ccc(N2CCC(C(=O)Nc3cccc(OCc4ccc(F)cc4)c3)CC2)cc1

InChI: InChI=1S/C25H26FN3O2/c26-20-6-4-18(5-7-20)17-31-24-3-1-2-22(16-24)28-25(30)19-12-14-29(15-13-19)23-10-8-21(27)9-11-23/h1-11,16,19H,12-15,17,27H2,(H,28,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.00 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization