Molecule ID: mol10415

SMILES: COc1ccc(O)c(C(=O)O)c1

InChI: InChI=1S/C8H8O4/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.86 OCHEM 0 » -1
2.86 Baltruschat ChEMBL 0 » -1
2.94 IUPAC digitized pKa 0 » -1
2.94 OCHEM 0 » -1
2.94 QSARToolbox 0 » -1
2.94 QSARToolbox 0 » -1
4.94 OCHEM 0 » -1
4.94 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization