Molecule ID: mol17554

SMILES: CN(C)CCNC(=O)c1cccc2c(N)c3cccc(C(F)(F)F)c3nc12

InChI: InChI=1S/C19H19F3N4O/c1-26(2)10-9-24-18(27)13-7-3-5-11-15(23)12-6-4-8-14(19(20,21)22)17(12)25-16(11)13/h3-8H,9-10H2,1-2H3,(H2,23,25)(H,24,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.89 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization