Molecule ID: mol16994

SMILES: Fc1ccc2c(c1)N(CCCN1CCOCC1)c1cc(F)ccc1CC2

InChI: InChI=1S/C21H24F2N2O/c22-18-6-4-16-2-3-17-5-7-19(23)15-21(17)25(20(16)14-18)9-1-8-24-10-12-26-13-11-24/h4-7,14-15H,1-3,8-13H2

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