Molecule ID: mol33034

SMILES: NC(CO)C(=O)O

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

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.13 QSARToolbox 1 » 0
2.19 QSARToolbox 1 » 0
2.20 QSARToolbox 1 » 0
2.21 OCHEM 1 » 0
2.21 QSARToolbox 1 » 0
2.21 QSARToolbox 1 » 0
2.21 QSARToolbox 1 » 0
2.26 QSARToolbox 1 » 0
4.15 QSARToolbox 1 » 0
9.10 OCHEM 0 » -1
9.12 QSARToolbox 0 » -1
9.24 QSARToolbox 0 » -1
9.34 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization