Molecule ID: mol219

SMILES: NCCCC(F)(F)F

InChI: InChI=1S/C4H8F3N/c5-4(6,7)2-1-3-8/h1-3,8H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.70 OCHEM 1 » 0
9.70 Baltruschat ChEMBL 1 » 0
9.70 Settimo 1 » 0
9.70 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization