Molecule ID: mol30557

SMILES: CCC(C)(C)c1ccc(O)cc1

InChI: InChI=1S/C11H16O/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8,12H,4H2,1-3H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.23 OCHEM 0 » -1
10.30 AttenGpKa training set 0 » -1
10.40 OCHEM 0 » -1
10.40 OCHEM 0 » -1
10.40 OCHEM 0 » -1
10.40 OCHEM 0 » -1
10.43 OCHEM 0 » -1
10.43 OCHEM 0 » -1
10.43 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization