Molecule ID: mol25843

SMILES: Cc1cc(O)nc(NC(=N)Nc2ccc([N+](=O)[O-])cc2)n1

InChI: InChI=1S/C12H12N6O3/c1-7-6-10(19)16-12(14-7)17-11(13)15-8-2-4-9(5-3-8)18(20)21/h2-6H,1H3,(H4,13,14,15,16,17,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization