Molecule ID: mol7855

SMILES: O=C(O)c1ncnc2ccccc12

InChI: InChI=1S/C9H6N2O2/c12-9(13)8-6-3-1-2-4-7(6)10-5-11-8/h1-5H,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization