Molecule ID: mol11327

SMILES: CC1=NOC(=O)C1=NNc1ccccc1

InChI: InChI=1S/C10H9N3O2/c1-7-9(10(14)15-13-7)12-11-8-5-3-2-4-6-8/h2-6,11H,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization