Molecule ID: mol16080

SMILES: O=C1NCC(c2ccccc2)C12CCN(C1CCCCC1(O)c1ccc(F)cc1)CC2

InChI: InChI=1S/C26H31FN2O2/c27-21-11-9-20(10-12-21)26(31)13-5-4-8-23(26)29-16-14-25(15-17-29)22(18-28-24(25)30)19-6-2-1-3-7-19/h1-3,6-7,9-12,22-23,31H,4-5,8,13-18H2,(H,28,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization