Molecule ID: mol5470

SMILES: N[C@@H](CO)C(=O)O

InChI: InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.12 IUPAC digitized pKa 1 » 0
2.13 QSARToolbox 1 » 0
2.13 IUPAC digitized pKa 1 » 0
2.15 IUPAC digitized pKa 1 » 0
2.15 IUPAC digitized pKa 1 » 0
2.17 IUPAC digitized pKa 1 » 0
2.17 IUPAC digitized pKa 1 » 0
2.18 IUPAC digitized pKa 1 » 0
2.19 IUPAC digitized pKa 1 » 0
2.19 IUPAC digitized pKa 1 » 0
2.19 OCHEM 1 » 0
2.21 IUPAC digitized pKa 1 » 0
2.22 QSARToolbox 1 » 0
2.23 IUPAC digitized pKa 1 » 0
2.23 QSARToolbox 1 » 0
2.23 IUPAC digitized pKa 1 » 0
2.25 IUPAC digitized pKa 1 » 0
2.27 IUPAC digitized pKa 1 » 0
2.27 IUPAC digitized pKa 1 » 0
2.29 IUPAC digitized pKa 1 » 0
2.30 IUPAC digitized pKa 1 » 0
2.30 IUPAC digitized pKa 1 » 0
2.54 QSARToolbox 1 » 0
8.63 IUPAC digitized pKa 0 » -1
8.69 IUPAC digitized pKa 0 » -1
8.78 IUPAC digitized pKa 0 » -1
8.78 IUPAC digitized pKa 0 » -1
8.84 IUPAC digitized pKa 0 » -1
8.85 QSARToolbox 0 » -1
8.90 IUPAC digitized pKa 0 » -1
8.97 QSARToolbox 0 » -1
8.98 IUPAC digitized pKa 0 » -1
8.99 QSARToolbox 0 » -1
8.99 QSARToolbox 0 » -1
9.01 IUPAC digitized pKa 0 » -1
9.02 IUPAC digitized pKa 0 » -1
9.02 IUPAC digitized pKa 0 » -1
9.12 IUPAC digitized pKa 0 » -1
9.15 QSARToolbox 0 » -1
9.15 IUPAC digitized pKa 0 » -1
9.21 IUPAC digitized pKa 0 » -1
9.21 IUPAC digitized pKa 0 » -1
9.21 OCHEM 0 » -1
9.26 IUPAC digitized pKa 0 » -1
9.27 IUPAC digitized pKa 0 » -1
9.34 IUPAC digitized pKa 0 » -1
9.34 IUPAC digitized pKa 0 » -1
9.35 IUPAC digitized pKa 0 » -1
9.51 QSARToolbox 0 » -1
9.54 IUPAC digitized pKa 0 » -1
9.57 IUPAC digitized pKa 0 » -1
9.88 IUPAC digitized pKa 0 » -1
11.79 QSARToolbox -1 » -2
11.93 QSARToolbox -1 » -2
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Charge States and Microspecies Visualization