Molecule ID: mol6732

SMILES: COC(=O)Cc1c(C)noc1C

InChI: InChI=1S/C8H11NO3/c1-5-7(4-8(10)11-3)6(2)12-9-5/h4H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization