Molecule ID: mol7514

SMILES: C#CCNc1ncccn1

InChI: InChI=1S/C7H7N3/c1-2-4-8-7-9-5-3-6-10-7/h1,3,5-6H,4H2,(H,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization