Molecule ID: mol20982

SMILES: Nc1cc(S(N)(=O)=O)ccc1S(=O)(=O)CCO

InChI: InChI=1S/C8H12N2O5S2/c9-7-5-6(17(10,14)15)1-2-8(7)16(12,13)4-3-11/h1-2,5,11H,3-4,9H2,(H2,10,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization