Molecule ID: mol28013

SMILES: N=C1NCCNC(=N)N1

InChI: InChI=1S/C4H9N5/c5-3-7-1-2-8-4(6)9-3/h1-2H2,(H5,5,6,7,8,9)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.74 AttenGpKa training set 2 » 1
2.88 AttenGpKa training set 2 » 1
11.34 AttenGpKa training set 0 » -1
11.76 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization