Molecule ID: mol18998

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

InChI: InChI=1S/C27H29ClN4/c1-31(2)24-10-7-20(8-11-24)18-32(3)19-22-6-4-5-21(15-22)17-30-26-13-14-29-27-16-23(28)9-12-25(26)27/h4-16H,17-19H2,1-3H3,(H,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization