Molecule ID: mol33926

SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccccc3)c3ccccc3)C(=O)N2[C@H]1C(=O)O

InChI: InChI=1S/C23H22N2O6S/c1-23(2)17(21(28)29)25-19(27)16(20(25)32-23)24-18(26)15(13-9-5-3-6-10-13)22(30)31-14-11-7-4-8-12-14/h3-12,15-17,20H,1-2H3,(H,24,26)(H,28,29)/t15?,16-,17+,20-/m1/s1

Experimental Macro pKa Values

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