Molecule ID: mol31172

SMILES: CC1(O)OC(C)(C)C(C)(C)O1

InChI: InChI=1S/C8H16O3/c1-6(2)7(3,4)11-8(5,9)10-6/h9H,1-5H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization