Molecule ID: mol17758

SMILES: CN(C)CCNC(=O)c1cccc2ccc(-c3ccccc3)nc12

InChI: InChI=1S/C20H21N3O/c1-23(2)14-13-21-20(24)17-10-6-9-16-11-12-18(22-19(16)17)15-7-4-3-5-8-15/h3-12H,13-14H2,1-2H3,(H,21,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization