Molecule ID: mol3072

SMILES: N#CCNCC#N

InChI: InChI=1S/C4H5N3/c5-1-3-7-4-2-6/h7H,3-4H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
0.20 IUPAC digitized pKa 1 » 0
0.20 OCHEM 1 » 0
0.20 AttenGpKa training set 1 » 0
0.20 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization