Molecule ID: mol37327

SMILES: O=C(O)[C@@H]1C[C@H]2C[C@@H]1[C@@H](O)C2

InChI: InChI=1S/C8H12O3/c9-7-3-4-1-5(7)6(2-4)8(10)11/h4-7,9H,1-3H2,(H,10,11)/t4-,5+,6-,7+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.44 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization