Molecule ID: mol20171

SMILES: CC(=O)N1CCN(CCC[C@@]2(c3ccccc3)CC(c3cc(F)ccc3F)=NN2C(C)=O)CC1

InChI: InChI=1S/C26H30F2N4O2/c1-19(33)31-15-13-30(14-16-31)12-6-11-26(21-7-4-3-5-8-21)18-25(29-32(26)20(2)34)23-17-22(27)9-10-24(23)28/h3-5,7-10,17H,6,11-16,18H2,1-2H3/t26-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization