Molecule ID: mol37726

SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)COP(=O)(O)Oc1ccccc1)C(=O)O

InChI: InChI=1S/C15H23N2O7P/c1-10(2)8-13(15(19)20)17-14(18)12(16)9-23-25(21,22)24-11-6-4-3-5-7-11/h3-7,10,12-13H,8-9,16H2,1-2H3,(H,17,18)(H,19,20)(H,21,22)/t12-,13-/m0/s1

Experimental Macro pKa Values

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