Molecule ID: mol26389

SMILES: Cn1nc2ccccc2[n+]1O

InChI: InChI=1S/C7H8N3O/c1-9-8-6-4-2-3-5-7(6)10(9)11/h2-5,11H,1H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.17 AttenGpKa training set 2 » 1
-2.17 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization