Molecule ID: mol16554

SMILES: N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1ccc(CO)c(Cl)c1

InChI: InChI=1S/C19H13ClFN3O4S/c20-17-8-15(3-1-12(17)11-25)28-18-5-4-16(7-13(18)9-22)29(26,27)24-19-6-2-14(21)10-23-19/h1-8,10,25H,11H2,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization