Molecule ID: mol11489

SMILES: O=C(O)c1cc2ccccc2cc1O

InChI: InChI=1S/C11H8O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h1-6,12H,(H,13,14)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.71 IUPAC digitized pKa 0 » -1
2.71 Datawarrior 0 » -1
2.71 OCHEM 0 » -1
2.71 QSARToolbox 0 » -1
2.71 QSARToolbox 0 » -1
2.75 OCHEM 0 » -1
2.79 QSARToolbox 0 » -1
2.79 QSARToolbox 0 » -1
2.79 IUPAC digitized pKa 0 » -1
2.79 Organic Oxygen Acids and Nitrogen Bases 0 » -1
2.79 OCHEM 0 » -1
2.79 OCHEM 0 » -1
2.79 OCHEM 0 » -1
2.79 OCHEM 0 » -1
3.56 AttenGpKa training set 0 » -1
10.92 AttenGpKa training set -1 » -2
12.19 QSARToolbox -1 » -2
12.19 Datawarrior -1 » -2
12.84 IUPAC digitized pKa -1 » -2
12.84 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization