Molecule ID: mol26192

SMILES: C[n+]1ncc(O)c2ccccc21

InChI: InChI=1S/C9H8N2O/c1-11-8-5-3-2-4-7(8)9(12)6-10-11/h2-6H,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization