Molecule ID: mol2835

SMILES: CNC(=O)c1nc(-c2ccc(Cl)c(S(=O)(=O)Nc3cccc(F)c3C)c2)cnc1N

InChI: InChI=1S/C19H17ClFN5O3S/c1-10-13(21)4-3-5-14(10)26-30(28,29)16-8-11(6-7-12(16)20)15-9-24-18(22)17(25-15)19(27)23-2/h3-9,26H,1-2H3,(H2,22,24)(H,23,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization