Molecule ID: mol36105

SMILES: O=C(O)CCCOC(=O)CCCCl

InChI: InChI=1S/C8H13ClO4/c9-5-1-4-8(12)13-6-2-3-7(10)11/h1-6H2,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization