Molecule ID: mol18170

SMILES: CN1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)NCC(F)(F)F)CCCCC4)cc3)cs2)CC1

InChI: InChI=1S/C24H30F3N5O2S/c1-31-11-13-32(14-12-31)22-29-19(15-35-22)17-5-7-18(8-6-17)20(33)30-23(9-3-2-4-10-23)21(34)28-16-24(25,26)27/h5-8,15H,2-4,9-14,16H2,1H3,(H,28,34)(H,30,33)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization