Molecule ID: mol7312

SMILES: Nc1ncc(Oc2ccccc2)c(N)n1

InChI: InChI=1S/C10H10N4O/c11-9-8(6-13-10(12)14-9)15-7-4-2-1-3-5-7/h1-6H,(H4,11,12,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization