Molecule ID: mol16995

SMILES: Fc1ccc2c(c1)N(CCCN1CCCCC1)c1cc(F)ccc1CC2

InChI: InChI=1S/C22H26F2N2/c23-19-9-7-17-5-6-18-8-10-20(24)16-22(18)26(21(17)15-19)14-4-13-25-11-2-1-3-12-25/h7-10,15-16H,1-6,11-14H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization