Molecule ID: mol19667

SMILES: COc1cc2ncnc(Nc3cc(Cl)ccc3F)c2cc1OCC1CCN(C)CC1

InChI: InChI=1S/C22H24ClFN4O2/c1-28-7-5-14(6-8-28)12-30-21-10-16-18(11-20(21)29-2)25-13-26-22(16)27-19-9-15(23)3-4-17(19)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization