Molecule ID: mol19004

SMILES: CN(Cc1ccc(Cl)cc1)Cc1cccc(CNc2ccnc3cc(Cl)ccc23)c1

InChI: InChI=1S/C25H23Cl2N3/c1-30(16-18-5-7-21(26)8-6-18)17-20-4-2-3-19(13-20)15-29-24-11-12-28-25-14-22(27)9-10-23(24)25/h2-14H,15-17H2,1H3,(H,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization