Molecule ID: mol8986

SMILES: O=C(O)C(O)C(=O)O

InChI: InChI=1S/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.89 IUPAC digitized pKa 0 » -1
2.37 IUPAC digitized pKa 0 » -1
2.38 IUPAC digitized pKa 0 » -1
2.38 QSARToolbox 0 » -1
2.42 QSARToolbox 0 » -1
4.28 IUPAC digitized pKa -1 » -2
4.37 QSARToolbox -1 » -2
4.54 QSARToolbox -1 » -2
4.54 QSARToolbox -1 » -2
4.74 QSARToolbox -1 » -2
4.74 QSARToolbox -1 » -2
4.74 IUPAC digitized pKa -1 » -2
4.76 IUPAC digitized pKa -1 » -2
4.76 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization