Molecule ID: mol32300

SMILES: C=C(C)C1CNC(C(=O)O)C1CC(=O)OC

InChI: InChI=1S/C11H17NO4/c1-6(2)8-5-12-10(11(14)15)7(8)4-9(13)16-3/h7-8,10,12H,1,4-5H2,2-3H3,(H,14,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.95 OCHEM 1 » 0
9.52 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization