Molecule ID: mol19663

SMILES: COCCN1CCC(Oc2cc3c(Nc4cc(Cl)ccc4F)ncnc3cc2OC)CC1

InChI: InChI=1S/C23H26ClFN4O3/c1-30-10-9-29-7-5-16(6-8-29)32-22-12-17-19(13-21(22)31-2)26-14-27-23(17)28-20-11-15(24)3-4-18(20)25/h3-4,11-14,16H,5-10H2,1-2H3,(H,26,27,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization