Molecule ID: mol2463

SMILES: Oc1cccc2c1CCCC2

InChI: InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.28 Organic Oxygen Acids and Nitrogen Bases 0 » -1
10.28 OCHEM 0 » -1
10.28 OCHEM 0 » -1
10.28 Hunt 0 » -1
10.28 OCHEM 0 » -1
10.29 OCHEM 0 » -1
10.30 QSARToolbox 0 » -1
10.46 Datawarrior 0 » -1
10.46 OCHEM 0 » -1
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Charge States and Microspecies Visualization