Molecule ID: mol22413

SMILES: O=C1OCC[C@H]2CC[C@@H](C(=O)O)[C@@H]12

InChI: InChI=1S/C9H12O4/c10-8(11)6-2-1-5-3-4-13-9(12)7(5)6/h5-7H,1-4H2,(H,10,11)/t5-,6-,7+/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization