Molecule ID: mol31532

SMILES: CCC(=N/O)/C(CC)=N\O

InChI: InChI=1S/C6H12N2O2/c1-3-5(7-9)6(4-2)8-10/h9-10H,3-4H2,1-2H3/b7-5-,8-6-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.67 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization