Molecule ID: mol18392

SMILES: O=C(NCc1ccc(Cl)cc1Cl)N1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization