Molecule ID: mol15594

SMILES: Cc1cc(OS(=O)(=O)O)c2oc(-c3cc4ccc(O)cc4oc3=O)nc2c1

InChI: InChI=1S/C17H11NO8S/c1-8-4-12-15(14(5-8)26-27(21,22)23)25-16(18-12)11-6-9-2-3-10(19)7-13(9)24-17(11)20/h2-7,19H,1H3,(H,21,22,23)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.80 Datawarrior -1 » -2
6.80 OCHEM -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization