Molecule ID: mol2965

SMILES: NS(=O)(=O)Oc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)oc2c1

InChI: InChI=1S/C18H20N2O4S/c19-25(21,22)24-14-1-2-16-17(8-14)23-18(20-16)9-15-12-4-10-3-11(6-12)7-13(15)5-10/h1-2,8-13H,3-7H2,(H2,19,21,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.26 Novartis 0 » -1
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Charge States and Microspecies Visualization