Molecule ID: mol18393

SMILES: O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cn3)c2)CC1

InChI: InChI=1S/C24H23Cl2F3N4O/c25-20-3-1-18(21(26)11-20)12-31-23(34)17-6-8-32(9-7-17)14-16-5-10-33(15-16)22-4-2-19(13-30-22)24(27,28)29/h1-5,10-11,13,15,17H,6-9,12,14H2,(H,31,34)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization