Molecule ID: mol38348

SMILES: Cc1cc(OCCN(C)C)c(C(C)C)cc1OS(=O)(=O)CC12CCC(CC1=O)C2(C)C

InChI: InChI=1S/C24H37NO5S/c1-16(2)19-14-20(17(3)12-21(19)29-11-10-25(6)7)30-31(27,28)15-24-9-8-18(13-22(24)26)23(24,4)5/h12,14,16,18H,8-11,13,15H2,1-7H3

Experimental Macro pKa Values

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