Molecule ID: mol3857

SMILES: NCc1ccc[nH]1

InChI: InChI=1S/C5H8N2/c6-4-5-2-1-3-7-5/h1-3,7H,4,6H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization