Molecule ID: mol37097

SMILES: Cc1c(O)c(/C=N\[C@@H](Cc2ccccc2)C(=O)[O-])c(CO)c[n+]1C

InChI: InChI=1S/C18H20N2O4/c1-12-17(22)15(14(11-21)10-20(12)2)9-19-16(18(23)24)8-13-6-4-3-5-7-13/h3-7,9-10,16,21H,8,11H2,1-2H3,(H-,19,22,23,24)/t16-/m0/s1

Experimental Macro pKa Values

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