Molecule ID: mol18385

SMILES: CC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NCC(C)(C)C

InChI: InChI=1S/C20H26ClN3O/c1-13(2)16-10-18(24-15-8-6-7-14(21)9-15)22-11-17(16)19(25)23-12-20(3,4)5/h6-11,13H,12H2,1-5H3,(H,22,24)(H,23,25)

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