Molecule ID: mol17131

SMILES: Fc1cccc(C(F)(F)F)c1N(CC1CC1)C1=NCCN1

InChI: InChI=1S/C14H15F4N3/c15-11-3-1-2-10(14(16,17)18)12(11)21(8-9-4-5-9)13-19-6-7-20-13/h1-3,9H,4-8H2,(H,19,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization