Molecule ID: mol18347

SMILES: C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CC(F)F

InChI: InChI=1S/C16H21F2NO/c1-10-14-7-11-3-4-12(20)8-13(11)16(10,2)5-6-19(14)9-15(17)18/h3-4,8,10,14-15,20H,5-7,9H2,1-2H3/t10-,14?,16-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.52 OCHEM 1 » 0
6.52 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization