Molecule ID: mol2931

SMILES: Cc1nc2cccc(C(F)(F)F)c2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1

InChI: InChI=1S/C25H26F3N3O2/c1-16-29-22-7-3-6-21(25(26,27)28)23(22)24(32)31(16)18-8-10-19(11-9-18)33-20-12-14-30(15-13-20)17-4-2-5-17/h3,6-11,17,20H,2,4-5,12-15H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.00 Novartis 1 » 0
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Charge States and Microspecies Visualization