Molecule ID: mol31578

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

InChI: InChI=1S/C8H16N2O2/c1-3-5-7(9-11)8(10-12)6-4-2/h11-12H,3-6H2,1-2H3/b9-7+,10-8+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization