Molecule ID: mol32676

SMILES: O=C1CC2OCC=C3C4CC5N(CCC56c5ccccc5N1C6C24)C3S(=O)(=O)O

InChI: InChI=1S/C21H22N2O5S/c24-17-10-15-18-12-9-16-21(13-3-1-2-4-14(13)23(17)19(18)21)6-7-22(16)20(29(25,26)27)11(12)5-8-28-15/h1-5,12,15-16,18-20H,6-10H2,(H,25,26,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.20 OCHEM 1 » 0
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Charge States and Microspecies Visualization