Molecule ID: mol28809

SMILES: Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)NC(Cc1ccccc1)N2

InChI: InChI=1S/C15H17N3O4S2/c1-10-7-12-14(9-13(10)23(16,19)20)24(21,22)18-15(17-12)8-11-5-3-2-4-6-11/h2-7,9,15,17-18H,8H2,1H3,(H2,16,19,20)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.53 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization