Molecule ID: mol11365

SMILES: COc1cc(NC(C)=O)ccc1C(=O)O

InChI: InChI=1S/C10H11NO4/c1-6(12)11-7-3-4-8(10(13)14)9(5-7)15-2/h3-5H,1-2H3,(H,11,12)(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization