Molecule ID: mol15098

SMILES: CC1=C(CC(C)NCC(O)c2ccc(F)cc2)CCC1(C)C

InChI: InChI=1S/C19H28FNO/c1-13(11-16-9-10-19(3,4)14(16)2)21-12-18(22)15-5-7-17(20)8-6-15/h5-8,13,18,21-22H,9-12H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization