Molecule ID: mol25413

SMILES: Cc1noc(C)c1C(C)C(=O)O

InChI: InChI=1S/C8H11NO3/c1-4(8(10)11)7-5(2)9-12-6(7)3/h4H,1-3H3,(H,10,11)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.82 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization