Molecule ID: mol247

SMILES: F[C@H]1CNCC[C@H]1Cc1ccccc1

InChI: InChI=1S/C12H16FN/c13-12-9-14-7-6-11(12)8-10-4-2-1-3-5-10/h1-5,11-12,14H,6-9H2/t11-,12-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization