Molecule ID: mol13242

SMILES: COC(=O)C(C)(C)c1c[nH]c(CO)n1

InChI: InChI=1S/C9H14N2O3/c1-9(2,8(13)14-3)6-4-10-7(5-12)11-6/h4,12H,5H2,1-3H3,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.18 OCHEM 1 » 0
6.18 QSARToolbox 1 » 0
6.18 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization