Molecule ID: mol8928

SMILES: O=P(O)(O)CCl

InChI: InChI=1S/CH4ClO3P/c2-1-6(3,4)5/h1H2,(H2,3,4,5)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.40 QSARToolbox 0 » -1
1.40 QSARToolbox 0 » -1
1.40 QSARToolbox 0 » -1
1.40 OCHEM 0 » -1
1.40 AttenGpKa training set 0 » -1
1.51 QSARToolbox 0 » -1
1.51 IUPAC digitized pKa 0 » -1
6.17 IUPAC digitized pKa -1 » -2
6.17 QSARToolbox -1 » -2
6.30 OCHEM -1 » -2
6.30 AttenGpKa training set -1 » -2
6.30 QSARToolbox -1 » -2
6.30 QSARToolbox -1 » -2
6.30 QSARToolbox -1 » -2
6.30 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization