Molecule ID: mol21382

SMILES: Cc1cc(OCC/C=N/N=C(N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1

InChI: InChI=1S/C17H19ClN4O4S/c1-12-9-13(25-8-4-7-21-22-17(19)20)11-14(10-12)26-27(23,24)16-6-3-2-5-15(16)18/h2-3,5-7,9-11H,4,8H2,1H3,(H4,19,20,22)/b21-7+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization