Molecule ID: mol24594

SMILES: NCCC1CC1(F)c1ccccc1

InChI: InChI=1S/C11H14FN/c12-11(8-10(11)6-7-13)9-4-2-1-3-5-9/h1-5,10H,6-8,13H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.95 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization