Molecule ID: mol21200

SMILES: Cn1c(-c2sccc2NC(=O)Nc2ccccc2Cl)nc(C(=O)O)c(O)c1=O

InChI: InChI=1S/C17H13ClN4O5S/c1-22-14(21-11(16(25)26)12(23)15(22)24)13-10(6-7-28-13)20-17(27)19-9-5-3-2-4-8(9)18/h2-7,23H,1H3,(H,25,26)(H2,19,20,27)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.20 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization