Molecule ID: mol28989

SMILES: COc1ccc(P(=O)(O)O)cc1Cl

InChI: InChI=1S/C7H8ClO4P/c1-12-7-3-2-5(4-6(7)8)13(9,10)11/h2-4H,1H3,(H2,9,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization