Molecule ID: mol19463

SMILES: CCOc1cc(CN2CCCC(NC(=O)c3cncc(C)c3)CC2)cc(OCC)c1-c1ccc(F)cc1

InChI: InChI=1S/C30H36FN3O3/c1-4-36-27-16-22(17-28(37-5-2)29(27)23-8-10-25(31)11-9-23)20-34-13-6-7-26(12-14-34)33-30(35)24-15-21(3)18-32-19-24/h8-11,15-19,26H,4-7,12-14,20H2,1-3H3,(H,33,35)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization