Molecule ID: mol2403

SMILES: CN(C)c1ccc(C(F)(F)F)cc1

InChI: InChI=1S/C9H10F3N/c1-13(2)8-5-3-7(4-6-8)9(10,11)12/h3-6H,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.67 IUPAC digitized pKa 1 » 0
2.67 OCHEM 1 » 0
2.67 Hunt 1 » 0
2.67 OCHEM 1 » 0
2.67 AttenGpKa training set 1 » 0
2.67 QSARToolbox 1 » 0
2.67 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization