Molecule ID: mol31597

SMILES: CC(C)C1CCC(=N/O)/C(=N\O)C1

InChI: InChI=1S/C9H16N2O2/c1-6(2)7-3-4-8(10-12)9(5-7)11-13/h6-7,12-13H,3-5H2,1-2H3/b10-8-,11-9-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.53 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization