Molecule ID: mol37240

SMILES: CC/C=C/CC1=NC(C(=O)O)C2SC(C)(C)[C@H](C(=O)O)N12

InChI: InChI=1S/C14H20N2O4S/c1-4-5-6-7-8-15-9(12(17)18)11-16(8)10(13(19)20)14(2,3)21-11/h5-6,9-11H,4,7H2,1-3H3,(H,17,18)(H,19,20)/b6-5+/t9?,10-,11?/m0/s1

Experimental Macro pKa Values

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