Molecule ID: mol20370

SMILES: Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCN(CCF)CC3)cc2)c2ccccc2n1

InChI: InChI=1S/C27H31FN4O4/c1-19-16-21(23-4-2-3-5-24(23)29-19)18-36-22-8-6-20(7-9-22)26(34)30-27(17-25(33)31-35)10-13-32(14-11-27)15-12-28/h2-9,16,35H,10-15,17-18H2,1H3,(H,30,34)(H,31,33)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization