Molecule ID: mol25290

SMILES: Cc1n[nH]c(C)c1[N+]#N

InChI: InChI=1S/C5H7N4/c1-3-5(7-6)4(2)9-8-3/h1-2H3,(H,8,9)/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.81 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization