Molecule ID: mol28840

SMILES: Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/Nc2ccc3ccccc3n2)cc1

InChI: InChI=1S/C23H20N4O2S/c1-17-10-13-20(14-11-17)30(28,29)27-22-9-5-3-7-19(22)16-24-26-23-15-12-18-6-2-4-8-21(18)25-23/h2-16,27H,1H3,(H,25,26)/b24-16+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.10 AttenGpKa training set 2 » 1
3.85 AttenGpKa training set 1 » 0
9.43 AttenGpKa training set -1 » -2
11.00 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization