Molecule ID: mol5098

SMILES: Oc1ccnc2c1ccc1cccnc12

InChI: InChI=1S/C12H8N2O/c15-10-5-7-14-12-9(10)4-3-8-2-1-6-13-11(8)12/h1-7H,(H,14,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.17 IUPAC digitized pKa 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization