Molecule ID: mol8909

SMILES: CP(=O)(O)O

InChI: InChI=1S/CH5O3P/c1-5(2,3)4/h1H3,(H2,2,3,4)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.87 IUPAC digitized pKa 0 » -1
2.12 QSARToolbox 0 » -1
2.12 QSARToolbox 0 » -1
2.12 IUPAC digitized pKa 0 » -1
2.29 IUPAC digitized pKa 0 » -1
2.35 QSARToolbox 0 » -1
2.35 IUPAC digitized pKa 0 » -1
2.35 AttenGpKa training set 0 » -1
2.37 OCHEM 0 » -1
2.38 QSARToolbox 0 » -1
2.38 QSARToolbox 0 » -1
2.41 IUPAC digitized pKa 0 » -1
2.48 IUPAC digitized pKa 0 » -1
7.10 IUPAC digitized pKa -1 » -2
7.19 IUPAC digitized pKa -1 » -2
7.23 IUPAC digitized pKa -1 » -2
7.29 QSARToolbox -1 » -2
7.29 IUPAC digitized pKa -1 » -2
7.34 IUPAC digitized pKa -1 » -2
7.35 IUPAC digitized pKa -1 » -2
7.50 OCHEM -1 » -2
7.53 QSARToolbox -1 » -2
7.60 OCHEM -1 » -2
7.62 QSARToolbox -1 » -2
7.74 QSARToolbox -1 » -2
7.74 QSARToolbox -1 » -2
7.74 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization