Molecule ID: mol6906

SMILES: Cc1n[nH]cc1I

InChI: InChI=1S/C4H5IN2/c1-3-4(5)2-6-7-3/h2H,1H3,(H,6,7)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization