Molecule ID: mol29568

SMILES: N=C(N)NC(=O)c1ncc(N)nc1N

InChI: InChI=1S/C6H9N7O/c7-2-1-11-3(4(8)12-2)5(14)13-6(9)10/h1H,(H4,7,8,12)(H4,9,10,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization