Molecule ID: mol19771

SMILES: CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CO)c1ccccc1)C1CCN(CCF)CC1

InChI: InChI=1S/C26H30F3N3O2/c1-30(22-9-12-31(13-10-22)14-11-27)25(34)32-17-19(23-15-21(28)7-8-24(23)29)16-26(32,18-33)20-5-3-2-4-6-20/h2-8,15-16,22,33H,9-14,17-18H2,1H3/t26-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization