Molecule ID: mol19003

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

InChI: InChI=1S/C25H23Cl2N3/c1-30(17-20-6-8-21(26)9-7-20)16-19-4-2-18(3-5-19)15-29-24-12-13-28-25-14-22(27)10-11-23(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
7.44 Baltruschat ChEMBL 2 » 1
9.74 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization