Molecule ID: mol31551

SMILES: CC1CCCC(=N/O)/C1=N\O

InChI: InChI=1S/C7H12N2O2/c1-5-3-2-4-6(8-10)7(5)9-11/h5,10-11H,2-4H2,1H3/b8-6-,9-7-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization