Molecule ID: mol8601

SMILES: COC1C(C=O)=C(CO)C=NC1C

InChI: InChI=1S/C9H13NO3/c1-6-9(13-2)8(5-12)7(4-11)3-10-6/h3,5-6,9,11H,4H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization