Molecule ID: mol18384

SMILES: CC(C)CNC(=O)c1cnc(Nc2cccc(Cl)c2)cc1C(C)C

InChI: InChI=1S/C19H24ClN3O/c1-12(2)10-22-19(24)17-11-21-18(9-16(17)13(3)4)23-15-7-5-6-14(20)8-15/h5-9,11-13H,10H2,1-4H3,(H,21,23)(H,22,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization