Molecule ID: mol19006

SMILES: CN(Cc1ccccc1)Cc1ccc(CNc2ccnc3cc(Cl)ccc23)cc1

InChI: InChI=1S/C25H24ClN3/c1-29(17-20-5-3-2-4-6-20)18-21-9-7-19(8-10-21)16-28-24-13-14-27-25-15-22(26)11-12-23(24)25/h2-15H,16-18H2,1H3,(H,27,28)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.56 Baltruschat ChEMBL 2 » 1
9.90 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization