Molecule ID: mol17192

SMILES: COCCCC/C(=N\OCCN)c1ccc(C(F)(F)F)cc1

InChI: InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization