Molecule ID: mol8602

SMILES: CC1C(O)=C(C=O)C(CO)=CN1C

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization