Molecule ID: mol28900

SMILES: CCC(C)(C)P(=O)(O)O

InChI: InChI=1S/C5H13O3P/c1-4-5(2,3)9(6,7)8/h4H2,1-3H3,(H2,6,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.88 OCHEM 0 » -1
2.88 AttenGpKa training set 0 » -1
2.88 QSARToolbox 0 » -1
2.88 QSARToolbox 0 » -1
2.88 QSARToolbox 0 » -1
2.88 QSARToolbox 0 » -1
2.88 QSARToolbox 0 » -1
8.96 OCHEM -1 » -2
8.96 AttenGpKa training set -1 » -2
8.96 QSARToolbox -1 » -2
8.96 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization