Molecule ID: mol2733

SMILES: CC1C(=O)CCCC1=O

InChI: InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.57 Caine 0 » -1
6.00 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization