Molecule ID: mol7501

SMILES: CNc1ncc(-c2ccccc2)cn1

InChI: InChI=1S/C11H11N3/c1-12-11-13-7-10(8-14-11)9-5-3-2-4-6-9/h2-8H,1H3,(H,12,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization