Molecule ID: mol24572

SMILES: NCC1CC1(F)c1ccccc1

InChI: InChI=1S/C10H12FN/c11-10(6-9(10)7-12)8-4-2-1-3-5-8/h1-5,9H,6-7,12H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization