Molecule ID: mol19665

SMILES: COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1OCC1CCN(C)CC1

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