Molecule ID: mol35977

SMILES: O=C(O)C(=C1CCCCC1)/C(=C/c1ccccc1)C(=O)O

InChI: InChI=1S/C17H18O4/c18-16(19)14(11-12-7-3-1-4-8-12)15(17(20)21)13-9-5-2-6-10-13/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,18,19)(H,20,21)/b14-11-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.03 QSARToolbox -1 » -2
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Charge States and Microspecies Visualization