Molecule ID: mol22322

SMILES: O=C1C[C@@]2(C(=O)O)CCC[C@H]2O1

InChI: InChI=1S/C8H10O4/c9-6-4-8(7(10)11)3-1-2-5(8)12-6/h5H,1-4H2,(H,10,11)/t5-,8+/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization