Molecule ID: mol1970

SMILES: Cc1nn(C2CCOCC2)c(NS(=O)(=O)c2ccc(C3CC3)cc2)c1C(=O)N[C@@H](C)C(C)(C)C

InChI: InChI=1S/C25H36N4O4S/c1-16-22(24(30)26-17(2)25(3,4)5)23(29(27-16)20-12-14-33-15-13-20)28-34(31,32)21-10-8-19(9-11-21)18-6-7-18/h8-11,17-18,20,28H,6-7,12-15H2,1-5H3,(H,26,30)/t17-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
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Charge States and Microspecies Visualization