Molecule ID: mol20147

SMILES: CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(-n3cccn3)c2)CC1

InChI: InChI=1S/C24H26F2N4O2/c1-16(31)29-22(12-17-10-19(25)14-20(26)11-17)23(32)15-27-24(6-7-24)18-4-2-5-21(13-18)30-9-3-8-28-30/h2-5,8-11,13-14,22-23,27,32H,6-7,12,15H2,1H3,(H,29,31)/t22-,23+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.70 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization