Molecule ID: mol17383

SMILES: Cc1cccnc1-c1ccc2c(c1)CC(NS(=O)(=O)C(C)C)C2

InChI: InChI=1S/C18H22N2O2S/c1-12(2)23(21,22)20-17-10-14-6-7-15(9-16(14)11-17)18-13(3)5-4-8-19-18/h4-9,12,17,20H,10-11H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization