Molecule ID: mol7336

SMILES: N=c1ncccn1CCO

InChI: InChI=1S/C6H9N3O/c7-6-8-2-1-3-9(6)4-5-10/h1-3,7,10H,4-5H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization