Molecule ID: mol20167

SMILES: CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN1CCCC1)c1ccccc1

InChI: InChI=1S/C24H27F2N3O/c1-18(30)29-24(19-8-3-2-4-9-19,12-7-15-28-13-5-6-14-28)17-23(27-29)21-16-20(25)10-11-22(21)26/h2-4,8-11,16H,5-7,12-15,17H2,1H3/t24-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization