Molecule ID: mol31163

SMILES: CC/N=C/C=C/C=C/NCC

InChI: InChI=1S/C9H16N2/c1-3-10-8-6-5-7-9-11-4-2/h5-10H,3-4H2,1-2H3/b7-5+,8-6+,11-9+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization