Molecule ID: mol25017

SMILES: O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccc(O)cc2)N1c1ccccc1

InChI: InChI=1S/C23H20N2O4S/c26-19-13-11-18(12-14-19)25-23(28)21(15-16-30(29)20-9-5-2-6-10-20)22(27)24(25)17-7-3-1-4-8-17/h1-14,21,26H,15-16H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization