Molecule ID: mol16176

SMILES: COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCCC[n+]2ccc(/C=N/O)cc2)cc1

InChI: InChI=1S/C25H34N4O4/c1-20(2)27-24(30)19-29(18-22-8-10-23(33-3)11-9-22)25(31)7-5-4-6-14-28-15-12-21(13-16-28)17-26-32/h8-13,15-17,20H,4-7,14,18-19H2,1-3H3,(H,27,30)/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization