Molecule ID: mol5603

SMILES: O=C(O)c1ccccc1Cl

InChI: InChI=1S/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.74 QSARToolbox 0 » -1
2.74 QSARToolbox 0 » -1
2.88 OCHEM 0 » -1
2.88 OCHEM 0 » -1
2.89 Organic Oxygen Acids and Nitrogen Bases 0 » -1
2.89 OCHEM 0 » -1
2.89 OCHEM 0 » -1
2.89 OCHEM 0 » -1
2.89 OCHEM 0 » -1
2.89 QSARToolbox 0 » -1
2.90 IUPAC digitized pKa 0 » -1
2.90 QSARToolbox 0 » -1
2.90 QSARToolbox 0 » -1
2.90 QSARToolbox 0 » -1
2.90 QSARToolbox 0 » -1
2.90 QSARToolbox 0 » -1
2.91 QSARToolbox 0 » -1
2.91 QSARToolbox 0 » -1
2.92 OCHEM 0 » -1
2.92 Baltruschat ChEMBL 0 » -1
2.94 QSARToolbox 0 » -1
2.95 Datawarrior 0 » -1
2.95 OCHEM 0 » -1
2.97 OCHEM 0 » -1
2.97 Baltruschat ChEMBL 0 » -1
3.01 QSARToolbox 0 » -1
3.01 QSARToolbox 0 » -1
3.03 QSARToolbox 0 » -1
3.03 QSARToolbox 0 » -1
3.09 AttenGpKa training set 0 » -1
3.30 QSARToolbox 0 » -1
4.88 OCHEM 0 » -1
4.88 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization