Molecule ID: mol22350

SMILES: CC([N+](=O)[O-])C(C)(C)C(=O)O

InChI: InChI=1S/C6H11NO4/c1-4(7(10)11)6(2,3)5(8)9/h4H,1-3H3,(H,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization